Drug Information

Drug ID:  NPD6079
Drug Name:  Rimexolone
Molecular Formula:  C24H34O3
Canonical SMILES:  CCC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C
Standard InCHI:  InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17+,18+,19+,21-,22+,23+,24-/m1/s1
Standard InCHIKey:  QTTRZHGPGKRAFB-OOKHYKNYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6079

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9647 NPC328539
High Similarity 0.954 NPC272746
High Similarity 0.9535 NPC86319
High Similarity 0.9535 NPC275740
High Similarity 0.9419 NPC131470
High Similarity 0.9419 NPC143767
High Similarity 0.9318 NPC185936
High Similarity 0.9318 NPC168027
High Similarity 0.9302 NPC475740
High Similarity 0.9302 NPC58063
High Similarity 0.9294 NPC470574
High Similarity 0.9222 NPC259286
High Similarity 0.9213 NPC69454
High Similarity 0.9205 NPC191684
High Similarity 0.9205 NPC183283
High Similarity 0.9205 NPC126993
High Similarity 0.9205 NPC85173
High Similarity 0.9195 NPC471722
High Similarity 0.9186 NPC474733
High Similarity 0.9186 NPC474778
High Similarity 0.9186 NPC72133
High Similarity 0.9186 NPC474732
High Similarity 0.9186 NPC31564
High Similarity 0.9186 NPC145879
High Similarity 0.9176 NPC85774
High Similarity 0.9176 NPC214043
High Similarity 0.913 NPC114274
High Similarity 0.9121 NPC249954
High Similarity 0.9111 NPC471207
High Similarity 0.9101 NPC475806
High Similarity 0.9101 NPC63748
High Similarity 0.9091 NPC309603
High Similarity 0.9091 NPC473999
High Similarity 0.9091 NPC119416
High Similarity 0.9091 NPC1015
High Similarity 0.9091 NPC186688
High Similarity 0.9091 NPC31985
High Similarity 0.908 NPC141292
High Similarity 0.908 NPC93778
High Similarity 0.907 NPC469948
High Similarity 0.9032 NPC144956
High Similarity 0.9022 NPC108078
High Similarity 0.9 NPC475255
High Similarity 0.8989 NPC48010
High Similarity 0.8977 NPC471724
High Similarity 0.8977 NPC310752
High Similarity 0.8977 NPC292491
High Similarity 0.8977 NPC53911
High Similarity 0.8977 NPC158778
High Similarity 0.8966 NPC475022
High Similarity 0.8966 NPC118648
High Similarity 0.8966 NPC222613
High Similarity 0.8953 NPC33913
High Similarity 0.8953 NPC472265
High Similarity 0.8953 NPC473246
High Similarity 0.8953 NPC221758
High Similarity 0.8953 NPC59453
High Similarity 0.8925 NPC103051
High Similarity 0.8913 NPC192428
High Similarity 0.8901 NPC166906
High Similarity 0.8901 NPC245972
High Similarity 0.8901 NPC8993
High Similarity 0.8901 NPC196485
High Similarity 0.8901 NPC111015
High Similarity 0.8889 NPC473998
High Similarity 0.8876 NPC472973
High Similarity 0.8876 NPC477943
High Similarity 0.8876 NPC268406
High Similarity 0.8876 NPC26959
High Similarity 0.8864 NPC142361
High Similarity 0.8864 NPC474684
High Similarity 0.8837 NPC476082
High Similarity 0.8837 NPC278648
High Similarity 0.883 NPC112167
High Similarity 0.8817 NPC18509
High Similarity 0.8804 NPC473170
High Similarity 0.8804 NPC271195
High Similarity 0.8804 NPC470016
High Similarity 0.8804 NPC317586
High Similarity 0.8791 NPC134826
High Similarity 0.8791 NPC474736
High Similarity 0.8791 NPC474807
High Similarity 0.8791 NPC472930
High Similarity 0.8791 NPC12722
High Similarity 0.8764 NPC474677
High Similarity 0.8764 NPC474925
High Similarity 0.8764 NPC193360
High Similarity 0.875 NPC94755
High Similarity 0.875 NPC51014
High Similarity 0.875 NPC327115
High Similarity 0.8736 NPC227064
High Similarity 0.8736 NPC146683
High Similarity 0.8736 NPC161423
High Similarity 0.8736 NPC82902
High Similarity 0.8736 NPC58841
High Similarity 0.8736 NPC329043
High Similarity 0.8736 NPC237712
High Similarity 0.8736 NPC321187
High Similarity 0.8721 NPC151519
High Similarity 0.871 NPC96859
High Similarity 0.871 NPC305483
High Similarity 0.871 NPC328162
High Similarity 0.8706 NPC164999
High Similarity 0.8706 NPC472478
High Similarity 0.8696 NPC299100
High Similarity 0.8681 NPC131872
High Similarity 0.8681 NPC233116
High Similarity 0.8681 NPC472975
High Similarity 0.8681 NPC472978
High Similarity 0.8667 NPC474245
High Similarity 0.8667 NPC475921
High Similarity 0.8667 NPC474704
High Similarity 0.8667 NPC32830
High Similarity 0.8652 NPC187376
High Similarity 0.8652 NPC159046
High Similarity 0.8652 NPC233836
High Similarity 0.8652 NPC136548
High Similarity 0.8646 NPC477915
High Similarity 0.8646 NPC473424
High Similarity 0.8636 NPC29447
High Similarity 0.8636 NPC474218
High Similarity 0.8636 NPC202868
High Similarity 0.8636 NPC76518
High Similarity 0.8636 NPC197823
High Similarity 0.8636 NPC22133
High Similarity 0.8636 NPC471224
High Similarity 0.8621 NPC64600
High Similarity 0.8621 NPC118800
High Similarity 0.8617 NPC190554
High Similarity 0.8602 NPC180950
High Similarity 0.8587 NPC477855
High Similarity 0.8587 NPC109305
High Similarity 0.8557 NPC311612
High Similarity 0.8556 NPC472802
High Similarity 0.8556 NPC206060
High Similarity 0.8556 NPC328313
High Similarity 0.8542 NPC476223
High Similarity 0.8542 NPC476240
High Similarity 0.8542 NPC224720
High Similarity 0.8539 NPC55309
High Similarity 0.8539 NPC20688
High Similarity 0.8539 NPC158393
High Similarity 0.8539 NPC469994
High Similarity 0.8539 NPC28252
High Similarity 0.8539 NPC155011
High Similarity 0.8511 NPC301534
High Similarity 0.8511 NPC471463
High Similarity 0.8511 NPC160056
High Similarity 0.8511 NPC5532
High Similarity 0.8511 NPC250757
High Similarity 0.8511 NPC469545
High Similarity 0.8511 NPC61369
High Similarity 0.8506 NPC48362
High Similarity 0.85 NPC214644
Intermediate Similarity 0.8495 NPC473172
Intermediate Similarity 0.8495 NPC472976
Intermediate Similarity 0.8495 NPC209662
Intermediate Similarity 0.8495 NPC474690
Intermediate Similarity 0.8495 NPC472977
Intermediate Similarity 0.8488 NPC2482
Intermediate Similarity 0.8488 NPC476809
Intermediate Similarity 0.8485 NPC185
Intermediate Similarity 0.8485 NPC44063
Intermediate Similarity 0.8478 NPC218301
Intermediate Similarity 0.8478 NPC19114
Intermediate Similarity 0.8478 NPC212301
Intermediate Similarity 0.8478 NPC189520
Intermediate Similarity 0.8478 NPC86266
Intermediate Similarity 0.8478 NPC155304
Intermediate Similarity 0.8478 NPC110657
Intermediate Similarity 0.8471 NPC82635
Intermediate Similarity 0.8469 NPC209502
Intermediate Similarity 0.8469 NPC204833
Intermediate Similarity 0.8462 NPC128496
Intermediate Similarity 0.8462 NPC76879
Intermediate Similarity 0.8462 NPC69627
Intermediate Similarity 0.8462 NPC472240
Intermediate Similarity 0.8462 NPC123912
Intermediate Similarity 0.8462 NPC102414
Intermediate Similarity 0.8462 NPC2983
Intermediate Similarity 0.8462 NPC84271
Intermediate Similarity 0.8462 NPC77168
Intermediate Similarity 0.8462 NPC262858
Intermediate Similarity 0.8454 NPC87351
Intermediate Similarity 0.8454 NPC136289
Intermediate Similarity 0.8444 NPC90652
Intermediate Similarity 0.8444 NPC89747
Intermediate Similarity 0.8444 NPC57469
Intermediate Similarity 0.8444 NPC298904
Intermediate Similarity 0.8444 NPC174619
Intermediate Similarity 0.8444 NPC475772
Intermediate Similarity 0.8444 NPC4643
Intermediate Similarity 0.8444 NPC317590
Intermediate Similarity 0.8444 NPC153604
Intermediate Similarity 0.8438 NPC154072
Intermediate Similarity 0.8438 NPC476274
Intermediate Similarity 0.8438 NPC287833
Intermediate Similarity 0.8438 NPC110149
Intermediate Similarity 0.8438 NPC316964
Intermediate Similarity 0.8438 NPC15390

Drug Structure

External Identifiers

TTD   DAP000420; DIB005104
DrugBank   DB00896
ChEMBL   CHEMBL1200617
IUPHAR/BPS   7099
PharmaGKB   PA164752251
KEGG Drug   D05729
PubChem CID   5311412
ChEBI   135566
CAS Number  49697-38-3

Drug Properties

Molecular Weight  370.25
ALogP  0.5925
MLogP  3.77
XLogP  4.171
HDA  3
HBD  1
Rotatable Bonds  8
TPSA  54.37
RO5 Violation  0