Natural Product: NPC169682

Natural Product ID:  NPC169682
Common Name:   Radulifolin B
IUPAC Name:   (3S,5S)-3-hydroxy-9-methoxy-3,4,5-trimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-one
Synonyms:  
Molecular Formula:   C16H20O4
Standard InCHIKey:  FCMSAPXDFYCBGJ-PWJLMRLQSA-N
Standard InCHI:  InChI=1S/C16H20O4/c1-8-6-5-7-10-11(8)9(2)12-14(13(10)19-4)20-15(17)16(12,3)18/h8,18H,5-7H2,1-4H3/t8-,16-/m0/s1
Canonical SMILES:  COc1c2CCC[C@@H](c2c(c2c1OC(=O)[C@@]2(C)O)C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO6737 Psacalium radulifolium Species Asteraceae Eukaryota roots PMID[11325222]
NPO1393 Meehania urticifolia Species Lamiaceae Eukaryota UNPD*
NPO3443 Dryopteris austriaca Species Dryopteridaceae Eukaryota UNPD*
NPO5165 Euphorbia heterophylla Species Euphorbiaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 100 ug/ml 11325222
NPT19 Organism Escherichia coli Escherichia coli MIC > 400 ug/ml 11325222
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC > 400 ug/ml 11325222
NPT20 Organism Candida albicans Candida albicans MIC > 400 ug/ml 11325222
NPT176 Organism Artemia salina Artemia salina LD50 = 52.5 ppm 11325222

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC169682 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8889 High Similarity NPC475907
0.8718 High Similarity NPC144843
0.871 High Similarity NPC47623
0.8667 High Similarity NPC471852
0.8544 High Similarity NPC29055
0.8533 High Similarity NPC58752
0.8487 Intermediate Similarity NPC303989
0.8477 Intermediate Similarity NPC470757
0.8354 Intermediate Similarity NPC21046
0.8313 Intermediate Similarity NPC208120
0.8313 Intermediate Similarity NPC173587
0.8312 Intermediate Similarity NPC50269
0.8289 Intermediate Similarity NPC191899
0.8289 Intermediate Similarity NPC246229
0.8272 Intermediate Similarity NPC232936
0.8261 Intermediate Similarity NPC21016
0.8261 Intermediate Similarity NPC146584
0.8258 Intermediate Similarity NPC477672
0.8258 Intermediate Similarity NPC477673
0.8228 Intermediate Similarity NPC143328
0.8221 Intermediate Similarity NPC213416
0.8217 Intermediate Similarity NPC471456
0.8205 Intermediate Similarity NPC218628
0.82 Intermediate Similarity NPC31751
0.82 Intermediate Similarity NPC253722
0.82 Intermediate Similarity NPC253481
0.8199 Intermediate Similarity NPC134047
0.8199 Intermediate Similarity NPC272750
0.8199 Intermediate Similarity NPC173729
0.8199 Intermediate Similarity NPC223006
0.8187 Intermediate Similarity NPC117985
0.8182 Intermediate Similarity NPC470359
0.8171 Intermediate Similarity NPC17219
0.8165 Intermediate Similarity NPC48105
0.8158 Intermediate Similarity NPC213900
0.8153 Intermediate Similarity NPC77430
0.8153 Intermediate Similarity NPC477669
0.8148 Intermediate Similarity NPC102372
0.8141 Intermediate Similarity NPC115869
0.8137 Intermediate Similarity NPC144557
0.8113 Intermediate Similarity NPC302258
0.8101 Intermediate Similarity NPC477687
0.8101 Intermediate Similarity NPC477671
0.8098 Intermediate Similarity NPC191012
0.8098 Intermediate Similarity NPC472452
0.8089 Intermediate Similarity NPC178574
0.8089 Intermediate Similarity NPC65591
0.8086 Intermediate Similarity NPC156082
0.8086 Intermediate Similarity NPC132054
0.8086 Intermediate Similarity NPC477689
0.8077 Intermediate Similarity NPC31132
0.8067 Intermediate Similarity NPC147379
0.8065 Intermediate Similarity NPC475848
0.8065 Intermediate Similarity NPC474306
0.8061 Intermediate Similarity NPC124470
0.8061 Intermediate Similarity NPC109827
0.8054 Intermediate Similarity NPC470721
0.8054 Intermediate Similarity NPC6100
0.8054 Intermediate Similarity NPC156888
0.8054 Intermediate Similarity NPC470722
0.805 Intermediate Similarity NPC54928
0.805 Intermediate Similarity NPC25850
0.805 Intermediate Similarity NPC276815
0.805 Intermediate Similarity NPC477675
0.805 Intermediate Similarity NPC477674
0.8049 Intermediate Similarity NPC473094
0.8049 Intermediate Similarity NPC45760
0.8039 Intermediate Similarity NPC126707
0.8039 Intermediate Similarity NPC471305
0.8038 Intermediate Similarity NPC273248
0.8037 Intermediate Similarity NPC112981
0.8025 Intermediate Similarity NPC124842
0.8025 Intermediate Similarity NPC221085
0.8013 Intermediate Similarity NPC474305
0.8012 Intermediate Similarity NPC119910
0.8012 Intermediate Similarity NPC200594
0.8012 Intermediate Similarity NPC472961
0.8012 Intermediate Similarity NPC472962
0.8012 Intermediate Similarity NPC158226
0.8 Intermediate Similarity NPC473096
0.8 Intermediate Similarity NPC127046
0.8 Intermediate Similarity NPC283301
0.8 Intermediate Similarity NPC49487
0.8 Intermediate Similarity NPC165979
0.8 Intermediate Similarity NPC473095
0.8 Intermediate Similarity NPC99613
0.8 Intermediate Similarity NPC163130
0.7988 Intermediate Similarity NPC20216
0.7988 Intermediate Similarity NPC29160
0.7988 Intermediate Similarity NPC298071
0.7987 Intermediate Similarity NPC75694
0.7987 Intermediate Similarity NPC80489
0.7987 Intermediate Similarity NPC180901
0.7987 Intermediate Similarity NPC84786
0.7987 Intermediate Similarity NPC300757
0.7975 Intermediate Similarity NPC180388
0.7975 Intermediate Similarity NPC131121
0.7975 Intermediate Similarity NPC474350
0.7975 Intermediate Similarity NPC161778
0.7975 Intermediate Similarity NPC475055
0.7974 Intermediate Similarity NPC18211
0.7974 Intermediate Similarity NPC143092
0.7972 Intermediate Similarity NPC320847
0.7964 Intermediate Similarity NPC470942
0.7963 Intermediate Similarity NPC469889
0.7962 Intermediate Similarity NPC477676
0.7961 Intermediate Similarity NPC131971
0.7952 Intermediate Similarity NPC239440
0.7952 Intermediate Similarity NPC20543
0.7952 Intermediate Similarity NPC477670
0.7952 Intermediate Similarity NPC246716
0.795 Intermediate Similarity NPC45846
0.795 Intermediate Similarity NPC267627
0.795 Intermediate Similarity NPC315157
0.795 Intermediate Similarity NPC37502
0.795 Intermediate Similarity NPC40702
0.7945 Intermediate Similarity NPC470725
0.7939 Intermediate Similarity NPC292788
0.7939 Intermediate Similarity NPC150131
0.7939 Intermediate Similarity NPC272485
0.7939 Intermediate Similarity NPC234331
0.7937 Intermediate Similarity NPC109765
0.7937 Intermediate Similarity NPC150227
0.7937 Intermediate Similarity NPC29727
0.7935 Intermediate Similarity NPC470357
0.7935 Intermediate Similarity NPC474991
0.7927 Intermediate Similarity NPC279768
0.7925 Intermediate Similarity NPC62051
0.7922 Intermediate Similarity NPC113397
0.7922 Intermediate Similarity NPC471451
0.7917 Intermediate Similarity NPC289147
0.7917 Intermediate Similarity NPC139350
0.7914 Intermediate Similarity NPC116838
0.7914 Intermediate Similarity NPC22130
0.7911 Intermediate Similarity NPC473732
0.7908 Intermediate Similarity NPC106920
0.7908 Intermediate Similarity NPC477696
0.7908 Intermediate Similarity NPC273657
0.7908 Intermediate Similarity NPC470811
0.7908 Intermediate Similarity NPC477697
0.7901 Intermediate Similarity NPC470810
0.7901 Intermediate Similarity NPC155101
0.7898 Intermediate Similarity NPC233267
0.7898 Intermediate Similarity NPC291049
0.7895 Intermediate Similarity NPC187690
0.7895 Intermediate Similarity NPC29599
0.7895 Intermediate Similarity NPC100675
0.7892 Intermediate Similarity NPC26568
0.7892 Intermediate Similarity NPC41494
0.7892 Intermediate Similarity NPC186100
0.7892 Intermediate Similarity NPC216403
0.7888 Intermediate Similarity NPC296044
0.7888 Intermediate Similarity NPC190020
0.7888 Intermediate Similarity NPC84935
0.7888 Intermediate Similarity NPC181168
0.7888 Intermediate Similarity NPC207584
0.7888 Intermediate Similarity NPC163527
0.7888 Intermediate Similarity NPC202495
0.7888 Intermediate Similarity NPC158542
0.7888 Intermediate Similarity NPC167098
0.7888 Intermediate Similarity NPC247713
0.7888 Intermediate Similarity NPC19947
0.7888 Intermediate Similarity NPC77679
0.7888 Intermediate Similarity NPC115281
0.7885 Intermediate Similarity NPC137296
0.7885 Intermediate Similarity NPC8817
0.7885 Intermediate Similarity NPC236166
0.7882 Intermediate Similarity NPC113446
0.7879 Intermediate Similarity NPC255787
0.7879 Intermediate Similarity NPC170245
0.7875 Intermediate Similarity NPC79998
0.7875 Intermediate Similarity NPC268008
0.7875 Intermediate Similarity NPC16286
0.7875 Intermediate Similarity NPC199926
0.7871 Intermediate Similarity NPC287275
0.7867 Intermediate Similarity NPC326847
0.7866 Intermediate Similarity NPC45943
0.7866 Intermediate Similarity NPC236132
0.7866 Intermediate Similarity NPC270837
0.7866 Intermediate Similarity NPC249181
0.7862 Intermediate Similarity NPC475116
0.7862 Intermediate Similarity NPC477960
0.7862 Intermediate Similarity NPC477961
0.7862 Intermediate Similarity NPC245948
0.7862 Intermediate Similarity NPC477962
0.7862 Intermediate Similarity NPC273483
0.7862 Intermediate Similarity NPC271681
0.7861 Intermediate Similarity NPC174486
0.7857 Intermediate Similarity NPC258307
0.7857 Intermediate Similarity NPC184624
0.7857 Intermediate Similarity NPC181523
0.7853 Intermediate Similarity NPC139540
0.7853 Intermediate Similarity NPC66288
0.7853 Intermediate Similarity NPC318081
0.7853 Intermediate Similarity NPC109061
0.7853 Intermediate Similarity NPC177100
0.7853 Intermediate Similarity NPC61010
0.7852 Intermediate Similarity NPC213122
0.7848 Intermediate Similarity NPC321387
0.7848 Intermediate Similarity NPC179178

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC169682 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8069 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD2533 Approved
0.7987 Intermediate Similarity NPD2534 Approved
0.7987 Intermediate Similarity NPD2532 Approved
0.7892 Intermediate Similarity NPD5844 Phase 1
0.7866 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD37 Approved
0.784 Intermediate Similarity NPD6234 Discontinued
0.7826 Intermediate Similarity NPD4966 Approved
0.7826 Intermediate Similarity NPD4967 Phase 2
0.7826 Intermediate Similarity NPD4965 Approved
0.7823 Intermediate Similarity NPD7985 Registered
0.7805 Intermediate Similarity NPD6232 Discontinued
0.7771 Intermediate Similarity NPD7473 Discontinued
0.7744 Intermediate Similarity NPD7199 Phase 2
0.7702 Intermediate Similarity NPD1465 Phase 2
0.7607 Intermediate Similarity NPD3882 Suspended
0.76 Intermediate Similarity NPD4060 Phase 1
0.7572 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7548 Intermediate Similarity NPD6674 Discontinued
0.7546 Intermediate Similarity NPD3817 Phase 2
0.7515 Intermediate Similarity NPD7228 Approved
0.75 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7468 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7434 Intermediate Similarity NPD6355 Discontinued
0.7421 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD7982 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD4628 Phase 3
0.7381 Intermediate Similarity NPD7229 Phase 3
0.7381 Intermediate Similarity NPD5711 Approved
0.7381 Intermediate Similarity NPD5710 Approved
0.7378 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7378 Intermediate Similarity NPD2801 Approved
0.7365 Intermediate Similarity NPD5494 Approved
0.7355 Intermediate Similarity NPD6100 Approved
0.7355 Intermediate Similarity NPD6099 Approved
0.7346 Intermediate Similarity NPD3226 Approved
0.7343 Intermediate Similarity NPD7644 Approved
0.7325 Intermediate Similarity NPD2800 Approved
0.7317 Intermediate Similarity NPD1934 Approved
0.7308 Intermediate Similarity NPD5763 Approved
0.7308 Intermediate Similarity NPD5762 Approved
0.7305 Intermediate Similarity NPD919 Approved
0.7301 Intermediate Similarity NPD6599 Discontinued
0.7297 Intermediate Similarity NPD1283 Approved
0.7279 Intermediate Similarity NPD1608 Approved
0.7278 Intermediate Similarity NPD4110 Phase 3
0.7278 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7819 Suspended
0.7273 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD7075 Discontinued
0.7241 Intermediate Similarity NPD7240 Approved
0.7237 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD8127 Discontinued
0.7212 Intermediate Similarity NPD6801 Discontinued
0.7209 Intermediate Similarity NPD3818 Discontinued
0.7208 Intermediate Similarity NPD447 Suspended
0.7205 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6004 Phase 3
0.7197 Intermediate Similarity NPD2346 Discontinued
0.7197 Intermediate Similarity NPD6002 Phase 3
0.7197 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD6005 Phase 3
0.7197 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6166 Phase 2
0.7184 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD1512 Approved
0.7153 Intermediate Similarity NPD7340 Approved
0.7151 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2979 Phase 3
0.7143 Intermediate Similarity NPD6799 Approved
0.7135 Intermediate Similarity NPD8434 Phase 2
0.7134 Intermediate Similarity NPD2438 Suspended
0.7124 Intermediate Similarity NPD6798 Discontinued
0.7118 Intermediate Similarity NPD6959 Discontinued
0.7107 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7102 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD1281 Approved
0.7076 Intermediate Similarity NPD3787 Discontinued
0.7075 Intermediate Similarity NPD17 Approved
0.7072 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7067 Intermediate Similarity NPD6696 Suspended
0.7063 Intermediate Similarity NPD1398 Phase 1
0.7059 Intermediate Similarity NPD7095 Approved
0.7041 Intermediate Similarity NPD3749 Approved
0.7037 Intermediate Similarity NPD1511 Approved
0.7035 Intermediate Similarity NPD3926 Phase 2
0.703 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD2935 Discontinued
0.7022 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD2797 Approved
0.7019 Intermediate Similarity NPD6190 Approved
0.7018 Intermediate Similarity NPD1247 Approved
0.7013 Intermediate Similarity NPD3268 Approved
0.7012 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.6987 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6987 Remote Similarity NPD230 Phase 1
0.6987 Remote Similarity NPD5124 Phase 1
0.6968 Remote Similarity NPD8032 Phase 2
0.6968 Remote Similarity NPD6233 Phase 2
0.6962 Remote Similarity NPD7033 Discontinued
0.6962 Remote Similarity NPD2799 Discontinued
0.6959 Remote Similarity NPD4626 Approved
0.6957 Remote Similarity NPD3750 Approved
0.6952 Remote Similarity NPD2493 Approved
0.6952 Remote Similarity NPD2494 Approved
0.6949 Remote Similarity NPD6559 Discontinued
0.6948 Remote Similarity NPD4625 Phase 3
0.6944 Remote Similarity NPD8150 Discontinued
0.6943 Remote Similarity NPD6651 Approved
0.6932 Remote Similarity NPD7074 Phase 3
0.6931 Remote Similarity NPD4583 Approved
0.6931 Remote Similarity NPD4582 Approved
0.6928 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6919 Remote Similarity NPD2974 Approved
0.6919 Remote Similarity NPD2975 Approved
0.6919 Remote Similarity NPD2973 Approved
0.6918 Remote Similarity NPD4477 Approved
0.6918 Remote Similarity NPD4476 Approved
0.6914 Remote Similarity NPD3751 Discontinued
0.691 Remote Similarity NPD7808 Phase 3
0.6909 Remote Similarity NPD920 Approved
0.6901 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6898 Remote Similarity NPD4580 Approved
0.6894 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6893 Remote Similarity NPD6797 Phase 2
0.689 Remote Similarity NPD3688 Clinical (unspecified phase)
0.689 Remote Similarity NPD3146 Approved
0.6883 Remote Similarity NPD1529 Clinical (unspecified phase)
0.6878 Remote Similarity NPD4004 Approved
0.6878 Remote Similarity NPD4002 Approved
0.6875 Remote Similarity NPD7054 Approved
0.6875 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6872 Remote Similarity NPD8313 Approved
0.6872 Remote Similarity NPD8312 Approved
0.6867 Remote Similarity NPD3705 Approved
0.6867 Remote Similarity NPD1611 Approved
0.6864 Remote Similarity NPD8455 Phase 2
0.6862 Remote Similarity NPD3450 Approved
0.6862 Remote Similarity NPD3452 Approved
0.6855 Remote Similarity NPD4308 Phase 3
0.6854 Remote Similarity NPD7251 Discontinued
0.6854 Remote Similarity NPD7685 Pre-registration
0.6852 Remote Similarity NPD7003 Approved
0.6848 Remote Similarity NPD6273 Approved
0.6848 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6846 Remote Similarity NPD1778 Approved
0.6845 Remote Similarity NPD7615 Clinical (unspecified phase)
0.6845 Remote Similarity NPD7411 Suspended
0.6839 Remote Similarity NPD3027 Phase 3
0.6836 Remote Similarity NPD7472 Approved
0.6831 Remote Similarity NPD2490 Approved
0.6831 Remote Similarity NPD2488 Approved
0.6826 Remote Similarity NPD7458 Discontinued
0.6824 Remote Similarity NPD5402 Approved
0.6815 Remote Similarity NPD1613 Approved
0.6815 Remote Similarity NPD4140 Approved
0.6815 Remote Similarity NPD1612 Clinical (unspecified phase)
0.6813 Remote Similarity NPD2531 Phase 2
0.6795 Remote Similarity NPD3764 Approved
0.679 Remote Similarity NPD1243 Approved
0.6788 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6788 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6786 Remote Similarity NPD7028 Phase 2
0.6786 Remote Similarity NPD4380 Phase 2
0.678 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6779 Remote Similarity NPD5691 Approved
0.6779 Remote Similarity NPD1651 Approved
0.6776 Remote Similarity NPD4749 Approved
0.6763 Remote Similarity NPD4666 Phase 3
0.6755 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4062 Phase 3
0.675 Remote Similarity NPD3748 Approved
0.6747 Remote Similarity NPD5049 Phase 3
0.673 Remote Similarity NPD6653 Approved
0.6728 Remote Similarity NPD2424 Discontinued
0.6728 Remote Similarity NPD5958 Discontinued
0.6725 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6723 Remote Similarity NPD7177 Discontinued
0.6709 Remote Similarity NPD3620 Phase 2
0.6709 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6705 Remote Similarity NPD2403 Approved
0.6705 Remote Similarity NPD5709 Phase 3
0.6702 Remote Similarity NPD7435 Discontinued
0.6688 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6688 Remote Similarity NPD3266 Approved
0.6688 Remote Similarity NPD2313 Discontinued
0.6688 Remote Similarity NPD3267 Approved
0.6688 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6687 Remote Similarity NPD642 Clinical (unspecified phase)
0.6687 Remote Similarity NPD7097 Phase 1
0.6686 Remote Similarity NPD7315 Approved
0.6686 Remote Similarity NPD7768 Phase 2
0.6685 Remote Similarity NPD2968 Approved
0.6685 Remote Similarity NPD2971 Approved
0.6667 Remote Similarity NPD1653 Approved

Structure

External Identifiers

PubChem CID   10660084
ChEMBL   CHEMBL476890
ZINC  

Physicochemical Properties

Molecular Weight:  276.14
ALogP:  0.3568
MLogP:  2.78
XLogP:  3.277
# Rotatable Bonds:  6
Polar Surface Area:  55.76
# H-Bond Aceptor:  2
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  20

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