Natural Product: NPC243165

Natural Product ID:  NPC243165
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C25H28O8
Standard InCHIKey:  BFQFVXPTFYVLFJ-OUBULAPXSA-N
Standard InCHI:  InChI=1S/C25H28O8/c1-14-9-18(26)20(32-22(28)16-6-8-30-13-16)24(4)19(31-21(27)15-5-7-29-12-15)10-17-11-25(14,24)33-23(17,2)3/h5-8,12-14,17,19-20H,9-11H2,1-4H3/t14-,17-,19+,20+,24-,25+/m1/s1
Canonical SMILES:  O=C(c1ccoc1)O[C@H]1C[C@@H]2C[C@]3([C@@]1(C)[C@@H](OC(=O)c1ccoc1)C(=O)C[C@H]3C)OC2(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
NPO8412 Monanchora arbuscula Species Crambeidae Eukaryota UNPD*
NPO631 Osyris lanceolata Species Santalaceae Eukaryota PMID[20499922]
NPO2871 Canistrocarpus cervicornis Species Dictyotaceae Eukaryota UNPD*
NPO8117 Aureolaria virginica Species Orobanchaceae Eukaryota UNPD*
NPO4016 Ligularia fischeri Species Asteraceae Eukaryota UNPD*
NPO631 Osyris lanceolata Species Santalaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT79 Organism Bacillus subtilis Bacillus subtilis MIC = 10 ug 20499922
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC = 50 ug 20499922
NPT18 Organism Pseudomonas aeruginosa Pseudomonas aeruginosa MIC = 10 ug 20499922
NPT19 Organism Escherichia coli Escherichia coli MIC = 10 ug 20499922
NPT20 Organism Candida albicans Candida albicans MIC = 0.5 ug 20499922
NPT1 Others Radical scavenging activity MIC = 10 ug 20499922

  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 NPC243165 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
0.9653 High Similarity NPC240214
0.9429 High Similarity NPC156077
0.8926 High Similarity NPC294803
0.8926 High Similarity NPC6815
0.8867 High Similarity NPC147340
0.8867 High Similarity NPC271460
0.871 High Similarity NPC191828
0.8477 Intermediate Similarity NPC221809
0.8366 Intermediate Similarity NPC195325
0.8322 Intermediate Similarity NPC20500
0.8313 Intermediate Similarity NPC276735
0.8267 Intermediate Similarity NPC473152
0.8258 Intermediate Similarity NPC18135
0.825 Intermediate Similarity NPC469846
0.8239 Intermediate Similarity NPC305016
0.8228 Intermediate Similarity NPC286722
0.8228 Intermediate Similarity NPC249021
0.8212 Intermediate Similarity NPC223415
0.8212 Intermediate Similarity NPC470741
0.8194 Intermediate Similarity NPC476122
0.8194 Intermediate Similarity NPC156189
0.8188 Intermediate Similarity NPC474722
0.8187 Intermediate Similarity NPC470939
0.8176 Intermediate Similarity NPC473473
0.8176 Intermediate Similarity NPC475967
0.8176 Intermediate Similarity NPC475295
0.817 Intermediate Similarity NPC262198
0.8165 Intermediate Similarity NPC126723
0.8165 Intermediate Similarity NPC107646
0.8165 Intermediate Similarity NPC209364
0.8137 Intermediate Similarity NPC419
0.8125 Intermediate Similarity NPC475381
0.8121 Intermediate Similarity NPC236532
0.8121 Intermediate Similarity NPC469848
0.8113 Intermediate Similarity NPC246841
0.8113 Intermediate Similarity NPC36655
0.8113 Intermediate Similarity NPC472283
0.8113 Intermediate Similarity NPC1408
0.8113 Intermediate Similarity NPC261597
0.811 Intermediate Similarity NPC88593
0.8108 Intermediate Similarity NPC146872
0.8101 Intermediate Similarity NPC44675
0.8101 Intermediate Similarity NPC214541
0.8098 Intermediate Similarity NPC476861
0.8098 Intermediate Similarity NPC476850
0.8089 Intermediate Similarity NPC476201
0.8089 Intermediate Similarity NPC75906
0.8086 Intermediate Similarity NPC123088
0.8077 Intermediate Similarity NPC196864
0.8077 Intermediate Similarity NPC476936
0.8077 Intermediate Similarity NPC469335
0.8077 Intermediate Similarity NPC159927
0.8077 Intermediate Similarity NPC477404
0.8075 Intermediate Similarity NPC6326
0.8075 Intermediate Similarity NPC82851
0.8075 Intermediate Similarity NPC197596
0.8063 Intermediate Similarity NPC237155
0.8061 Intermediate Similarity NPC294512
0.8054 Intermediate Similarity NPC470742
0.8052 Intermediate Similarity NPC62799
0.805 Intermediate Similarity NPC263265
0.805 Intermediate Similarity NPC60973
0.8049 Intermediate Similarity NPC271235
0.8039 Intermediate Similarity NPC251865
0.8038 Intermediate Similarity NPC282445
0.8037 Intermediate Similarity NPC478178
0.8037 Intermediate Similarity NPC472141
0.8025 Intermediate Similarity NPC39986
0.8025 Intermediate Similarity NPC663
0.8025 Intermediate Similarity NPC302369
0.8025 Intermediate Similarity NPC14499
0.8025 Intermediate Similarity NPC476035
0.8025 Intermediate Similarity NPC224394
0.8025 Intermediate Similarity NPC134254
0.8025 Intermediate Similarity NPC475039
0.8013 Intermediate Similarity NPC470790
0.8013 Intermediate Similarity NPC470791
0.8012 Intermediate Similarity NPC472653
0.8012 Intermediate Similarity NPC25255
0.8 Intermediate Similarity NPC469847
0.8 Intermediate Similarity NPC167142
0.8 Intermediate Similarity NPC299038
0.8 Intermediate Similarity NPC470941
0.8 Intermediate Similarity NPC187149
0.8 Intermediate Similarity NPC472772
0.7988 Intermediate Similarity NPC472651
0.7988 Intermediate Similarity NPC478179
0.7987 Intermediate Similarity NPC469850
0.7987 Intermediate Similarity NPC476262
0.7975 Intermediate Similarity NPC476857
0.7975 Intermediate Similarity NPC476860
0.7975 Intermediate Similarity NPC308205
0.7975 Intermediate Similarity NPC476856
0.7975 Intermediate Similarity NPC469503
0.7975 Intermediate Similarity NPC476858
0.7975 Intermediate Similarity NPC322546
0.7974 Intermediate Similarity NPC267632
0.7974 Intermediate Similarity NPC243577
0.7963 Intermediate Similarity NPC193798
0.7963 Intermediate Similarity NPC5079
0.7963 Intermediate Similarity NPC329938
0.7963 Intermediate Similarity NPC117986
0.795 Intermediate Similarity NPC475226
0.795 Intermediate Similarity NPC477403
0.7949 Intermediate Similarity NPC19747
0.7939 Intermediate Similarity NPC472652
0.7939 Intermediate Similarity NPC327922
0.7937 Intermediate Similarity NPC104736
0.7937 Intermediate Similarity NPC204663
0.7927 Intermediate Similarity NPC23387
0.7927 Intermediate Similarity NPC86800
0.7927 Intermediate Similarity NPC214600
0.7925 Intermediate Similarity NPC57998
0.7922 Intermediate Similarity NPC84479
0.7919 Intermediate Similarity NPC92941
0.7917 Intermediate Similarity NPC176413
0.7917 Intermediate Similarity NPC56953
0.7914 Intermediate Similarity NPC51568
0.7914 Intermediate Similarity NPC165218
0.7914 Intermediate Similarity NPC477405
0.7914 Intermediate Similarity NPC234660
0.7914 Intermediate Similarity NPC292389
0.7914 Intermediate Similarity NPC469338
0.7914 Intermediate Similarity NPC471168
0.7901 Intermediate Similarity NPC335761
0.7898 Intermediate Similarity NPC472654
0.7898 Intermediate Similarity NPC211625
0.7888 Intermediate Similarity NPC195131
0.7888 Intermediate Similarity NPC81405
0.7888 Intermediate Similarity NPC470118
0.7888 Intermediate Similarity NPC304692
0.7885 Intermediate Similarity NPC10088
0.7881 Intermediate Similarity NPC476943
0.7879 Intermediate Similarity NPC473753
0.7879 Intermediate Similarity NPC476853
0.7879 Intermediate Similarity NPC473766
0.7879 Intermediate Similarity NPC173516
0.7879 Intermediate Similarity NPC476224
0.7879 Intermediate Similarity NPC472774
0.7879 Intermediate Similarity NPC472775
0.7875 Intermediate Similarity NPC469336
0.7875 Intermediate Similarity NPC75310
0.7866 Intermediate Similarity NPC469849
0.7866 Intermediate Similarity NPC470940
0.7866 Intermediate Similarity NPC159520
0.7866 Intermediate Similarity NPC276551
0.7862 Intermediate Similarity NPC182427
0.7862 Intermediate Similarity NPC29695
0.7862 Intermediate Similarity NPC476939
0.7862 Intermediate Similarity NPC476940
0.7862 Intermediate Similarity NPC268905
0.7857 Intermediate Similarity NPC236004
0.7857 Intermediate Similarity NPC205071
0.7853 Intermediate Similarity NPC472668
0.7853 Intermediate Similarity NPC263432
0.7853 Intermediate Similarity NPC69028
0.7853 Intermediate Similarity NPC472771
0.7848 Intermediate Similarity NPC46551
0.7844 Intermediate Similarity NPC160818
0.7844 Intermediate Similarity NPC169299
0.7844 Intermediate Similarity NPC159232
0.7844 Intermediate Similarity NPC285227
0.784 Intermediate Similarity NPC140952
0.784 Intermediate Similarity NPC474932
0.7831 Intermediate Similarity NPC471397
0.7831 Intermediate Similarity NPC160651
0.7826 Intermediate Similarity NPC41880
0.7821 Intermediate Similarity NPC346
0.7821 Intermediate Similarity NPC276676
0.7818 Intermediate Similarity NPC149945
0.7818 Intermediate Similarity NPC470875
0.7812 Intermediate Similarity NPC30222
0.7812 Intermediate Similarity NPC178932
0.7806 Intermediate Similarity NPC86935
0.7805 Intermediate Similarity NPC472669
0.7805 Intermediate Similarity NPC472139
0.7805 Intermediate Similarity NPC285567
0.7805 Intermediate Similarity NPC476197
0.7805 Intermediate Similarity NPC472773
0.7799 Intermediate Similarity NPC116717
0.7792 Intermediate Similarity NPC52412
0.7792 Intermediate Similarity NPC475519
0.7792 Intermediate Similarity NPC121158
0.7791 Intermediate Similarity NPC477402
0.7791 Intermediate Similarity NPC470789
0.7785 Intermediate Similarity NPC471001
0.7784 Intermediate Similarity NPC470995
0.7784 Intermediate Similarity NPC302392
0.7784 Intermediate Similarity NPC82602
0.7778 Intermediate Similarity NPC214495
0.7778 Intermediate Similarity NPC470119
0.7778 Intermediate Similarity NPC472777
0.7778 Intermediate Similarity NPC45101
0.7778 Intermediate Similarity NPC472778
0.7778 Intermediate Similarity NPC472776
0.7771 Intermediate Similarity NPC270312
0.7771 Intermediate Similarity NPC255414
0.7771 Intermediate Similarity NPC250228
0.7771 Intermediate Similarity NPC472282
0.7765 Intermediate Similarity NPC478177

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC243165 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
0.7683 Intermediate Similarity NPD5537 Clinical (unspecified phase)
0.7546 Intermediate Similarity NPD5761 Phase 2
0.7546 Intermediate Similarity NPD5760 Phase 2
0.7486 Intermediate Similarity NPD8434 Phase 2
0.7152 Intermediate Similarity NPD1471 Phase 3
0.7073 Intermediate Similarity NPD920 Approved
0.7048 Intermediate Similarity NPD6599 Discontinued
0.6959 Remote Similarity NPD919 Approved
0.6951 Remote Similarity NPD642 Clinical (unspecified phase)
0.691 Remote Similarity NPD6765 Approved
0.691 Remote Similarity NPD6764 Approved
0.6832 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6829 Remote Similarity NPD643 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6824 Remote Similarity NPD7819 Suspended
0.6816 Remote Similarity NPD6559 Discontinued
0.6802 Remote Similarity NPD7075 Discontinued
0.68 Remote Similarity NPD3926 Phase 2
0.6788 Remote Similarity NPD6799 Approved
0.6784 Remote Similarity NPD5402 Approved
0.6782 Remote Similarity NPD1247 Approved
0.6765 Remote Similarity NPD6801 Discontinued
0.6758 Remote Similarity NPD6785 Approved
0.6758 Remote Similarity NPD6784 Approved
0.6724 Remote Similarity NPD5494 Approved
0.6686 Remote Similarity NPD3226 Approved
0.6686 Remote Similarity NPD3817 Phase 2
0.6685 Remote Similarity NPD7893 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5403 Approved
0.6667 Remote Similarity NPD2796 Approved
0.6647 Remote Similarity NPD5401 Approved
0.6646 Remote Similarity NPD1243 Approved
0.6624 Remote Similarity NPD6832 Phase 2
0.6609 Remote Similarity NPD3749 Approved
0.6605 Remote Similarity NPD2799 Discontinued
0.6578 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6564 Remote Similarity NPD1551 Phase 2
0.6552 Remote Similarity NPD3882 Suspended
0.6548 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6524 Remote Similarity NPD2346 Discontinued
0.6517 Remote Similarity NPD8404 Phase 2
0.6512 Remote Similarity NPD7411 Suspended
0.6506 Remote Similarity NPD4628 Phase 3
0.6503 Remote Similarity NPD3748 Approved
0.6461 Remote Similarity NPD6808 Phase 2
0.645 Remote Similarity NPD2534 Approved
0.645 Remote Similarity NPD2533 Approved
0.645 Remote Similarity NPD2532 Approved
0.6444 Remote Similarity NPD7473 Discontinued
0.6424 Remote Similarity NPD2344 Approved
0.642 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6412 Remote Similarity NPD6273 Approved
0.64 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6398 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6369 Remote Similarity NPD6232 Discontinued
0.6364 Remote Similarity NPD4966 Approved
0.6364 Remote Similarity NPD4967 Phase 2
0.6364 Remote Similarity NPD7768 Phase 2
0.6364 Remote Similarity NPD4965 Approved
0.6364 Remote Similarity NPD2935 Discontinued
0.6347 Remote Similarity NPD2800 Approved
0.6343 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6335 Remote Similarity NPD2313 Discontinued
0.6319 Remote Similarity NPD3818 Discontinued
0.6313 Remote Similarity NPD6959 Discontinued
0.631 Remote Similarity NPD3750 Approved
0.631 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6298 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6292 Remote Similarity NPD6234 Discontinued
0.629 Remote Similarity NPD8312 Approved
0.629 Remote Similarity NPD8313 Approved
0.6287 Remote Similarity NPD1549 Phase 2
0.6284 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6272 Remote Similarity NPD2309 Approved
0.6264 Remote Similarity NPD4380 Phase 2
0.6257 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6257 Remote Similarity NPD7410 Clinical (unspecified phase)
0.625 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6244 Remote Similarity NPD7435 Discontinued
0.6237 Remote Similarity NPD4338 Clinical (unspecified phase)
0.6236 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6228 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6228 Remote Similarity NPD1550 Clinical (unspecified phase)
0.622 Remote Similarity NPD6355 Discontinued
0.6216 Remote Similarity NPD5953 Discontinued
0.6213 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6166 Phase 2
0.6209 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6196 Remote Similarity NPD5844 Phase 1
0.6193 Remote Similarity NPD6280 Approved
0.6193 Remote Similarity NPD1934 Approved
0.6193 Remote Similarity NPD37 Approved
0.6193 Remote Similarity NPD6279 Approved
0.619 Remote Similarity NPD970 Clinical (unspecified phase)
0.6185 Remote Similarity NPD6980 Clinical (unspecified phase)
0.618 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6178 Remote Similarity NPD1547 Clinical (unspecified phase)
0.6176 Remote Similarity NPD3887 Approved
0.6164 Remote Similarity NPD1876 Approved
0.6159 Remote Similarity NPD4307 Phase 2
0.6154 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6141 Remote Similarity NPD7799 Discontinued
0.6141 Remote Similarity NPD3751 Discontinued
0.614 Remote Similarity NPD7236 Approved
0.6139 Remote Similarity NPD3972 Approved
0.6133 Remote Similarity NPD8127 Discontinued
0.6129 Remote Similarity NPD6797 Phase 2
0.6124 Remote Similarity NPD5616 Clinical (unspecified phase)
0.612 Remote Similarity NPD2403 Approved
0.6108 Remote Similarity NPD1510 Phase 2
0.6105 Remote Similarity NPD8150 Discontinued
0.6098 Remote Similarity NPD8032 Phase 2
0.6096 Remote Similarity NPD7251 Discontinued
0.6091 Remote Similarity NPD6780 Approved
0.6091 Remote Similarity NPD6779 Approved
0.6091 Remote Similarity NPD6781 Approved
0.6091 Remote Similarity NPD6778 Approved
0.6091 Remote Similarity NPD6776 Approved
0.6091 Remote Similarity NPD6782 Approved
0.6091 Remote Similarity NPD6777 Approved
0.6087 Remote Similarity NPD2798 Approved
0.6087 Remote Similarity NPD1019 Discontinued
0.6084 Remote Similarity NPD1607 Approved
0.6071 Remote Similarity NPD2438 Suspended
0.6067 Remote Similarity NPD2801 Approved
0.6064 Remote Similarity NPD7808 Phase 3
0.6061 Remote Similarity NPD1240 Approved
0.6061 Remote Similarity NPD2979 Phase 3
0.6059 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6059 Remote Similarity NPD7874 Approved
0.6057 Remote Similarity NPD7239 Suspended
0.6054 Remote Similarity NPD7228 Approved
0.6051 Remote Similarity NPD17 Approved
0.6043 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6041 Remote Similarity NPD8285 Discontinued
0.6037 Remote Similarity NPD3764 Approved
0.6037 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6036 Remote Similarity NPD6005 Phase 3
0.6036 Remote Similarity NPD6004 Phase 3
0.6036 Remote Similarity NPD6002 Phase 3
0.6036 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6034 Remote Similarity NPD1512 Approved
0.6025 Remote Similarity NPD1203 Approved
0.6025 Remote Similarity NPD3266 Approved
0.6025 Remote Similarity NPD3267 Approved
0.6024 Remote Similarity NPD1933 Approved
0.6023 Remote Similarity NPD7003 Approved
0.6022 Remote Similarity NPD7286 Phase 2
0.6012 Remote Similarity NPD7033 Discontinued
0.6012 Remote Similarity NPD4308 Phase 3
0.6011 Remote Similarity NPD3787 Discontinued
0.6011 Remote Similarity NPD5711 Approved
0.6011 Remote Similarity NPD7229 Phase 3
0.6011 Remote Similarity NPD5710 Approved
0.601 Remote Similarity NPD4107 Approved
0.6 Remote Similarity NPD7698 Approved
0.6 Remote Similarity NPD7696 Phase 3
0.6 Remote Similarity NPD8407 Phase 2
0.6 Remote Similarity NPD7697 Approved
0.5989 Remote Similarity NPD7074 Phase 3
0.5987 Remote Similarity NPD5585 Approved
0.5976 Remote Similarity NPD6100 Approved
0.5976 Remote Similarity NPD6099 Approved
0.597 Remote Similarity NPD7870 Phase 2
0.597 Remote Similarity NPD7871 Phase 2
0.597 Remote Similarity NPD8319 Approved
0.597 Remote Similarity NPD8320 Phase 1
0.5959 Remote Similarity NPD8397 Clinical (unspecified phase)
0.5956 Remote Similarity NPD7199 Phase 2
0.5943 Remote Similarity NPD7314 Clinical (unspecified phase)
0.5941 Remote Similarity NPD2353 Approved
0.5941 Remote Similarity NPD2355 Clinical (unspecified phase)
0.5941 Remote Similarity NPD5762 Approved
0.5941 Remote Similarity NPD5763 Approved
0.5939 Remote Similarity NPD6798 Discontinued
0.5939 Remote Similarity NPD3268 Approved
0.5939 Remote Similarity NPD1699 Clinical (unspecified phase)
0.5938 Remote Similarity NPD9717 Approved
0.5938 Remote Similarity NPD1608 Approved
0.5936 Remote Similarity NPD7054 Approved
0.5932 Remote Similarity NPD7458 Discontinued
0.5928 Remote Similarity NPD447 Suspended
0.5926 Remote Similarity NPD7240 Approved
0.5926 Remote Similarity NPD8368 Discontinued
0.5926 Remote Similarity NPD1049 Clinical (unspecified phase)
0.5926 Remote Similarity NPD2797 Approved
0.592 Remote Similarity NPD1511 Approved
0.5904 Remote Similarity NPD6233 Phase 2
0.5904 Remote Similarity NPD7472 Approved
0.59 Remote Similarity NPD4482 Phase 3
0.5895 Remote Similarity NPD4419 Clinical (unspecified phase)
0.5893 Remote Similarity NPD6651 Approved
0.5882 Remote Similarity NPD7701 Phase 2
0.5879 Remote Similarity NPD7095 Approved
0.5876 Remote Similarity NPD4287 Approved
0.5875 Remote Similarity NPD1281 Approved

Structure

External Identifiers

PubChem CID   46850687
ChEMBL   CHEMBL1165570
ZINC  

Physicochemical Properties

Molecular Weight:  456.18
ALogP:  -0.3543
MLogP:  3.33
XLogP:  2.877
# Rotatable Bonds:  10
Polar Surface Area:  105.18
# H-Bond Aceptor:  6
# H-Bond Donor:  0
# Rings:  5
# Heavy Atoms:  33

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