Natural Product: NPC214097

Natural Product ID:  NPC214097
Common Name:   Furandiol
IUPAC Name:   (5S,5aS,8aR,9S)-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-5,9-diol
Synonyms:   Furandiol
Molecular Formula:   C15H22O3
Standard InCHIKey:  CJMRDWKLOVHYSM-HTUGSXCWSA-N
Standard InCHI:  InChI=1S/C15H22O3/c1-14(2)5-10-12(6-14)15(3,17)4-9-7-18-8-11(9)13(10)16/h7-8,10,12-13,16-17H,4-6H2,1-3H3/t10-,12+,13+,15+/m1/s1
Canonical SMILES:  O[C@H]1[C@@H]2CC(C[C@@H]2[C@@](Cc2c1coc2)(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
NPO8243 Euphorbia supina Species Euphorbiaceae Eukaryota UNPD*
NPO32977 lactarius subvellereus Species NA Eukaryota PMID[20719504]
NPO1394 Penicillium sclerotigenum Species Aspergillaceae Eukaryota UNPD*
NPO3471 Suillellus luridus Species Boletaceae Eukaryota UNPD*
NPO9266 Stephania delavayi Species Menispermaceae Eukaryota UNPD*
NPO7167 Hosta undulata Species Asparagaceae Eukaryota UNPD*
NPO11327 Lactarius necator Species Russulaceae Eukaryota UNPD*
NPO29399 Microdochium nivale Species Microdochiaceae Eukaryota UNPD*
NPO3869 Russula delica Species Russulaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT81 Cell Line A549 Homo sapiens IC50 > 30000 nM 20719504
NPT146 Cell Line SK-OV-3 Homo sapiens IC50 > 30000 nM 20719504
NPT147 Cell Line SK-MEL-2 Homo sapiens IC50 > 30000 nM 20719504
NPT148 Cell Line HCT-15 Homo sapiens IC50 > 30000 nM 20719504

  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 NPC214097 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
0.8561 High Similarity NPC205765
0.8369 Intermediate Similarity NPC62103
0.8369 Intermediate Similarity NPC20578
0.831 Intermediate Similarity NPC64568
0.8273 Intermediate Similarity NPC186626
0.8267 Intermediate Similarity NPC116639
0.8264 Intermediate Similarity NPC97904
0.8207 Intermediate Similarity NPC250228
0.8188 Intermediate Similarity NPC471998
0.8095 Intermediate Similarity NPC472654
0.8069 Intermediate Similarity NPC41182
0.8067 Intermediate Similarity NPC472785
0.8058 Intermediate Similarity NPC106247
0.8052 Intermediate Similarity NPC261184
0.8039 Intermediate Similarity NPC472767
0.8026 Intermediate Similarity NPC472779
0.8014 Intermediate Similarity NPC4764
0.8014 Intermediate Similarity NPC473268
0.8 Intermediate Similarity NPC137295
0.8 Intermediate Similarity NPC158525
0.7973 Intermediate Similarity NPC195325
0.797 Intermediate Similarity NPC263870
0.7958 Intermediate Similarity NPC471996
0.7958 Intermediate Similarity NPC472376
0.7943 Intermediate Similarity NPC46896
0.7933 Intermediate Similarity NPC75906
0.7914 Intermediate Similarity NPC471545
0.7914 Intermediate Similarity NPC45358
0.7914 Intermediate Similarity NPC471544
0.7914 Intermediate Similarity NPC473344
0.7914 Intermediate Similarity NPC471995
0.7902 Intermediate Similarity NPC90953
0.7899 Intermediate Similarity NPC45947
0.7891 Intermediate Similarity NPC346
0.7887 Intermediate Similarity NPC286130
0.7885 Intermediate Similarity NPC149945
0.7881 Intermediate Similarity NPC57998
0.7881 Intermediate Similarity NPC114880
0.7877 Intermediate Similarity NPC476944
0.7867 Intermediate Similarity NPC472787
0.7852 Intermediate Similarity NPC211625
0.7852 Intermediate Similarity NPC329180
0.7847 Intermediate Similarity NPC67003
0.7834 Intermediate Similarity NPC472764
0.7815 Intermediate Similarity NPC44577
0.781 Intermediate Similarity NPC319140
0.781 Intermediate Similarity NPC95567
0.7808 Intermediate Similarity NPC470741
0.7808 Intermediate Similarity NPC243577
0.7808 Intermediate Similarity NPC254198
0.7808 Intermediate Similarity NPC205071
0.7808 Intermediate Similarity NPC476946
0.7808 Intermediate Similarity NPC103134
0.7808 Intermediate Similarity NPC80635
0.7808 Intermediate Similarity NPC223415
0.78 Intermediate Similarity NPC156189
0.7786 Intermediate Similarity NPC97740
0.7785 Intermediate Similarity NPC472765
0.7785 Intermediate Similarity NPC472766
0.7778 Intermediate Similarity NPC272899
0.7778 Intermediate Similarity NPC204663
0.7771 Intermediate Similarity NPC214600
0.777 Intermediate Similarity NPC21460
0.7763 Intermediate Similarity NPC282445
0.7761 Intermediate Similarity NPC79557
0.7756 Intermediate Similarity NPC663
0.7756 Intermediate Similarity NPC224394
0.7756 Intermediate Similarity NPC165218
0.7755 Intermediate Similarity NPC251865
0.7755 Intermediate Similarity NPC84479
0.7754 Intermediate Similarity NPC329707
0.7742 Intermediate Similarity NPC470789
0.7733 Intermediate Similarity NPC470998
0.7733 Intermediate Similarity NPC470791
0.7733 Intermediate Similarity NPC470790
0.7727 Intermediate Similarity NPC45101
0.7727 Intermediate Similarity NPC261597
0.7727 Intermediate Similarity NPC195131
0.7727 Intermediate Similarity NPC472772
0.7718 Intermediate Similarity NPC476937
0.7718 Intermediate Similarity NPC221809
0.7718 Intermediate Similarity NPC476938
0.7718 Intermediate Similarity NPC470941
0.7714 Intermediate Similarity NPC17681
0.7712 Intermediate Similarity NPC214541
0.7712 Intermediate Similarity NPC44675
0.7712 Intermediate Similarity NPC35000
0.7703 Intermediate Similarity NPC5676
0.7697 Intermediate Similarity NPC469503
0.7697 Intermediate Similarity NPC475777
0.7687 Intermediate Similarity NPC267632
0.7681 Intermediate Similarity NPC473355
0.7681 Intermediate Similarity NPC471501
0.7681 Intermediate Similarity NPC471554
0.7681 Intermediate Similarity NPC471573
0.7677 Intermediate Similarity NPC475967
0.7676 Intermediate Similarity NPC200718
0.7671 Intermediate Similarity NPC248795
0.7667 Intermediate Similarity NPC476942
0.7667 Intermediate Similarity NPC476941
0.7662 Intermediate Similarity NPC469485
0.7658 Intermediate Similarity NPC478178
0.7647 Intermediate Similarity NPC178932
0.7647 Intermediate Similarity NPC30222
0.7639 Intermediate Similarity NPC310830
0.7635 Intermediate Similarity NPC86935
0.7628 Intermediate Similarity NPC477402
0.7625 Intermediate Similarity NPC472659
0.7622 Intermediate Similarity NPC92941
0.7619 Intermediate Similarity NPC121158
0.7619 Intermediate Similarity NPC473152
0.7613 Intermediate Similarity NPC472776
0.7613 Intermediate Similarity NPC472777
0.7613 Intermediate Similarity NPC249021
0.7613 Intermediate Similarity NPC299038
0.7613 Intermediate Similarity NPC173544
0.7613 Intermediate Similarity NPC472778
0.7613 Intermediate Similarity NPC36655
0.761 Intermediate Similarity NPC478179
0.7609 Intermediate Similarity NPC23086
0.7606 Intermediate Similarity NPC474425
0.7606 Intermediate Similarity NPC474407
0.7606 Intermediate Similarity NPC474426
0.7603 Intermediate Similarity NPC218204
0.7603 Intermediate Similarity NPC90296
0.7603 Intermediate Similarity NPC473681
0.7603 Intermediate Similarity NPC18904
0.7603 Intermediate Similarity NPC61157
0.76 Intermediate Similarity NPC216755
0.76 Intermediate Similarity NPC471174
0.7597 Intermediate Similarity NPC472786
0.7597 Intermediate Similarity NPC469336
0.7597 Intermediate Similarity NPC75310
0.7597 Intermediate Similarity NPC264943
0.7593 Intermediate Similarity NPC471632
0.7593 Intermediate Similarity NPC471437
0.7591 Intermediate Similarity NPC118853
0.7591 Intermediate Similarity NPC243269
0.7589 Intermediate Similarity NPC61788
0.7586 Intermediate Similarity NPC220094
0.7586 Intermediate Similarity NPC476943
0.7582 Intermediate Similarity NPC474219
0.7582 Intermediate Similarity NPC476939
0.7582 Intermediate Similarity NPC474378
0.7582 Intermediate Similarity NPC476940
0.758 Intermediate Similarity NPC6326
0.758 Intermediate Similarity NPC472771
0.758 Intermediate Similarity NPC200782
0.7574 Intermediate Similarity NPC477967
0.7571 Intermediate Similarity NPC120836
0.7571 Intermediate Similarity NPC223063
0.7569 Intermediate Similarity NPC214572
0.7564 Intermediate Similarity NPC475226
0.7564 Intermediate Similarity NPC477403
0.7554 Intermediate Similarity NPC137570
0.7551 Intermediate Similarity NPC20500
0.755 Intermediate Similarity NPC7388
0.755 Intermediate Similarity NPC19747
0.7536 Intermediate Similarity NPC303010
0.7534 Intermediate Similarity NPC474615
0.7534 Intermediate Similarity NPC107571
0.7533 Intermediate Similarity NPC62799
0.7533 Intermediate Similarity NPC104924
0.7532 Intermediate Similarity NPC472773
0.7532 Intermediate Similarity NPC472780
0.7532 Intermediate Similarity NPC472783
0.7517 Intermediate Similarity NPC310043
0.7517 Intermediate Similarity NPC470742
0.7516 Intermediate Similarity NPC18135
0.7516 Intermediate Similarity NPC335761
0.75 Intermediate Similarity NPC125182
0.75 Intermediate Similarity NPC470118
0.75 Intermediate Similarity NPC472651
0.75 Intermediate Similarity NPC69647
0.75 Intermediate Similarity NPC187149
0.75 Intermediate Similarity NPC159786
0.75 Intermediate Similarity NPC472784
0.7484 Intermediate Similarity NPC92979
0.7484 Intermediate Similarity NPC123088
0.7483 Intermediate Similarity NPC255414
0.7482 Intermediate Similarity NPC216810
0.7469 Intermediate Similarity NPC159232
0.7469 Intermediate Similarity NPC285227
0.7468 Intermediate Similarity NPC472782
0.7468 Intermediate Similarity NPC470792
0.7468 Intermediate Similarity NPC33938
0.7468 Intermediate Similarity NPC268905
0.7468 Intermediate Similarity NPC472668
0.7468 Intermediate Similarity NPC329938
0.7468 Intermediate Similarity NPC5079
0.7468 Intermediate Similarity NPC472781
0.7468 Intermediate Similarity NPC470996
0.7468 Intermediate Similarity NPC193798
0.7468 Intermediate Similarity NPC82851
0.7467 Intermediate Similarity NPC185456
0.7465 Intermediate Similarity NPC89133
0.7464 Intermediate Similarity NPC130275
0.7453 Intermediate Similarity NPC472652
0.7452 Intermediate Similarity NPC474932
0.7452 Intermediate Similarity NPC474611

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC214097 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
0.8311 Intermediate Similarity NPD5761 Phase 2
0.8311 Intermediate Similarity NPD5760 Phase 2
0.7188 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.6974 Remote Similarity NPD2800 Approved
0.6842 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6004 Phase 3
0.6842 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6842 Remote Similarity NPD6005 Phase 3
0.6842 Remote Similarity NPD6002 Phase 3
0.6821 Remote Similarity NPD8434 Phase 2
0.6818 Remote Similarity NPD4628 Phase 3
0.6752 Remote Similarity NPD2533 Approved
0.6752 Remote Similarity NPD2534 Approved
0.6752 Remote Similarity NPD2532 Approved
0.6732 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6725 Remote Similarity NPD6765 Approved
0.6725 Remote Similarity NPD6764 Approved
0.6667 Remote Similarity NPD920 Approved
0.6646 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6646 Remote Similarity NPD642 Clinical (unspecified phase)
0.6623 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6623 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6623 Remote Similarity NPD2344 Approved
0.6601 Remote Similarity NPD7033 Discontinued
0.6581 Remote Similarity NPD1549 Phase 2
0.6571 Remote Similarity NPD6784 Approved
0.6571 Remote Similarity NPD6785 Approved
0.6558 Remote Similarity NPD2796 Approved
0.6541 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6519 Remote Similarity NPD643 Clinical (unspecified phase)
0.6485 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6474 Remote Similarity NPD970 Clinical (unspecified phase)
0.6471 Remote Similarity NPD6651 Approved
0.6456 Remote Similarity NPD2309 Approved
0.6452 Remote Similarity NPD6100 Approved
0.6452 Remote Similarity NPD6099 Approved
0.6452 Remote Similarity NPD1551 Phase 2
0.6447 Remote Similarity NPD1240 Approved
0.6438 Remote Similarity NPD1608 Approved
0.6433 Remote Similarity NPD1243 Approved
0.6424 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6424 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6407 Remote Similarity NPD3749 Approved
0.6398 Remote Similarity NPD6273 Approved
0.6387 Remote Similarity NPD1510 Phase 2
0.6376 Remote Similarity NPD5647 Approved
0.6376 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6364 Remote Similarity NPD1934 Approved
0.6364 Remote Similarity NPD1607 Approved
0.6347 Remote Similarity NPD3882 Suspended
0.6343 Remote Similarity NPD6559 Discontinued
0.6341 Remote Similarity NPD4380 Phase 2
0.6341 Remote Similarity NPD6599 Discontinued
0.6335 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6331 Remote Similarity NPD5494 Approved
0.6327 Remote Similarity NPD9717 Approved
0.631 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6301 Remote Similarity NPD3818 Discontinued
0.6294 Remote Similarity NPD1247 Approved
0.6289 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6289 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6282 Remote Similarity NPD2799 Discontinued
0.625 Remote Similarity NPD9092 Discovery
0.6233 Remote Similarity NPD17 Approved
0.6228 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6228 Remote Similarity NPD2801 Approved
0.6228 Remote Similarity NPD7819 Suspended
0.6226 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6213 Remote Similarity NPD7075 Discontinued
0.6207 Remote Similarity NPD9545 Approved
0.6205 Remote Similarity NPD7411 Suspended
0.6203 Remote Similarity NPD1471 Phase 3
0.62 Remote Similarity NPD2797 Approved
0.6199 Remote Similarity NPD6959 Discontinued
0.6194 Remote Similarity NPD447 Suspended
0.6185 Remote Similarity NPD6166 Phase 2
0.6185 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6185 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6176 Remote Similarity NPD919 Approved
0.6173 Remote Similarity NPD6799 Approved
0.6173 Remote Similarity NPD1511 Approved
0.6168 Remote Similarity NPD6801 Discontinued
0.6163 Remote Similarity NPD5711 Approved
0.6163 Remote Similarity NPD5710 Approved
0.6154 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6154 Remote Similarity NPD6653 Approved
0.6149 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6133 Remote Similarity NPD1876 Approved
0.6124 Remote Similarity NPD4419 Clinical (unspecified phase)
0.6122 Remote Similarity NPD1778 Approved
0.6118 Remote Similarity NPD9494 Approved
0.6107 Remote Similarity NPD3972 Approved
0.6105 Remote Similarity NPD7199 Phase 2
0.6104 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6104 Remote Similarity NPD3268 Approved
0.6104 Remote Similarity NPD2313 Discontinued
0.6104 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6098 Remote Similarity NPD1512 Approved
0.6095 Remote Similarity NPD5402 Approved
0.6093 Remote Similarity NPD1203 Approved
0.6093 Remote Similarity NPD1049 Clinical (unspecified phase)
0.6093 Remote Similarity NPD6362 Approved
0.6092 Remote Similarity NPD4575 Clinical (unspecified phase)
0.609 Remote Similarity NPD230 Phase 1
0.6084 Remote Similarity NPD3226 Approved
0.608 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6078 Remote Similarity NPD6832 Phase 2
0.6067 Remote Similarity NPD7685 Pre-registration
0.6061 Remote Similarity NPD5403 Approved
0.6059 Remote Similarity NPD7768 Phase 2
0.6053 Remote Similarity NPD2798 Approved
0.6053 Remote Similarity NPD1019 Discontinued
0.6045 Remote Similarity NPD7074 Phase 3
0.6038 Remote Similarity NPD2935 Discontinued
0.6034 Remote Similarity NPD3926 Phase 2
0.6013 Remote Similarity NPD2861 Phase 2
0.6012 Remote Similarity NPD7236 Approved
0.6012 Remote Similarity NPD8127 Discontinued
0.6 Remote Similarity NPD2403 Approved
0.6 Remote Similarity NPD2346 Discontinued
0.6 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6 Remote Similarity NPD3764 Approved
0.6 Remote Similarity NPD2296 Approved
0.6 Remote Similarity NPD411 Approved
0.6 Remote Similarity NPD3817 Phase 2
0.5989 Remote Similarity NPD5844 Phase 1
0.5989 Remote Similarity NPD7054 Approved
0.5988 Remote Similarity NPD5808 Clinical (unspecified phase)
0.5988 Remote Similarity NPD3750 Approved
0.5987 Remote Similarity NPD6355 Discontinued
0.5987 Remote Similarity NPD5123 Clinical (unspecified phase)
0.5987 Remote Similarity NPD5124 Phase 1
0.5978 Remote Similarity NPD3658 Clinical (unspecified phase)
0.5976 Remote Similarity NPD6279 Approved
0.5976 Remote Similarity NPD6280 Approved
0.5976 Remote Similarity NPD6143 Clinical (unspecified phase)
0.5975 Remote Similarity NPD4308 Phase 3
0.5972 Remote Similarity NPD1241 Discontinued
0.5965 Remote Similarity NPD4967 Phase 2
0.5965 Remote Similarity NPD4966 Approved
0.5965 Remote Similarity NPD4965 Approved
0.5963 Remote Similarity NPD2424 Discontinued
0.5959 Remote Similarity NPD9493 Approved
0.5955 Remote Similarity NPD7472 Approved
0.5943 Remote Similarity NPD7184 Clinical (unspecified phase)
0.5939 Remote Similarity NPD5401 Approved
0.5938 Remote Similarity NPD5712 Approved
0.5934 Remote Similarity NPD8055 Clinical (unspecified phase)
0.5932 Remote Similarity NPD7799 Discontinued
0.5932 Remote Similarity NPD7893 Clinical (unspecified phase)
0.593 Remote Similarity NPD8404 Phase 2
0.5926 Remote Similarity NPD2654 Approved
0.5924 Remote Similarity NPD4140 Approved
0.5922 Remote Similarity NPD7993 Clinical (unspecified phase)
0.5922 Remote Similarity NPD6797 Phase 2
0.5921 Remote Similarity NPD6696 Suspended
0.5906 Remote Similarity NPD3412 Clinical (unspecified phase)
0.5896 Remote Similarity NPD1698 Clinical (unspecified phase)
0.589 Remote Similarity NPD4109 Clinical (unspecified phase)
0.589 Remote Similarity NPD4110 Phase 3
0.5889 Remote Similarity NPD7251 Discontinued
0.5886 Remote Similarity NPD1899 Clinical (unspecified phase)
0.5886 Remote Similarity NPD5735 Approved
0.5886 Remote Similarity NPD6232 Discontinued
0.5886 Remote Similarity NPD7315 Approved
0.5886 Remote Similarity NPD6808 Phase 2
0.5882 Remote Similarity NPD37 Approved
0.5878 Remote Similarity NPD7741 Discontinued
0.5876 Remote Similarity NPD7473 Discontinued
0.5874 Remote Similarity NPD2181 Clinical (unspecified phase)
0.5867 Remote Similarity NPD3496 Discontinued
0.5866 Remote Similarity NPD1729 Discontinued
0.5856 Remote Similarity NPD4338 Clinical (unspecified phase)
0.5856 Remote Similarity NPD7808 Phase 3
0.5855 Remote Similarity NPD4749 Approved
0.5849 Remote Similarity NPD6353 Approved
0.5844 Remote Similarity NPD6917 Clinical (unspecified phase)
0.5843 Remote Similarity NPD3751 Discontinued
0.5839 Remote Similarity NPD5585 Approved
0.5833 Remote Similarity NPD7239 Suspended
0.5833 Remote Similarity NPD5953 Discontinued
0.5828 Remote Similarity NPD1610 Phase 2
0.5824 Remote Similarity NPD8313 Approved
0.5824 Remote Similarity NPD8312 Approved
0.5823 Remote Similarity NPD7966 Clinical (unspecified phase)
0.581 Remote Similarity NPD7286 Phase 2
0.5805 Remote Similarity NPD6234 Discontinued
0.5802 Remote Similarity NPD5763 Approved
0.5802 Remote Similarity NPD5762 Approved
0.5799 Remote Similarity NPD7458 Discontinued
0.5798 Remote Similarity NPD4363 Phase 3
0.5798 Remote Similarity NPD4360 Phase 2
0.5795 Remote Similarity NPD7229 Phase 3
0.5795 Remote Similarity NPD3787 Discontinued
0.5793 Remote Similarity NPD7003 Approved
0.5789 Remote Similarity NPD6844 Discontinued
0.5789 Remote Similarity NPD7577 Discontinued
0.5787 Remote Similarity NPD3446 Phase 1
0.5782 Remote Similarity NPD7157 Approved
0.5779 Remote Similarity NPD3266 Approved

Structure

External Identifiers

PubChem CID   181229
ChEMBL   CHEMBL1223950
ZINC  

Physicochemical Properties

Molecular Weight:  250.16
ALogP:  0.2951
MLogP:  2.78
XLogP:  2.27
# Rotatable Bonds:  5
Polar Surface Area:  53.6
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  18

Download Data

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Biological Activities  
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