Drug Information

Drug ID:  NPD7515
Drug Name:  Enoxolone
Molecular Formula:  C30H46O4
Canonical SMILES:  O=C1C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@]2([C@]2([C@H]1[C@@]1(C)CC[C@@H](C([C@@H]1CC2)(C)C)O)C)C)C(=O)O
Standard InCHI:  InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
Standard InCHIKey:  MPDGHEJMBKOTSU-YKLVYJNSSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7515

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 1.0 NPC145067
High Similarity 1.0 NPC158030
High Similarity 1.0 NPC4036
High Similarity 1.0 NPC233455
High Similarity 1.0 NPC65120
High Similarity 0.9884 NPC214756
High Similarity 0.9884 NPC272075
High Similarity 0.9884 NPC295643
High Similarity 0.9659 NPC139570
High Similarity 0.9659 NPC148523
High Similarity 0.9651 NPC291028
High Similarity 0.9647 NPC182797
High Similarity 0.9647 NPC52169
High Similarity 0.9551 NPC98874
High Similarity 0.9545 NPC74751
High Similarity 0.954 NPC105189
High Similarity 0.954 NPC474525
High Similarity 0.9535 NPC225585
High Similarity 0.9535 NPC234346
High Similarity 0.9535 NPC127689
High Similarity 0.9535 NPC121798
High Similarity 0.9535 NPC263393
High Similarity 0.9535 NPC59263
High Similarity 0.9535 NPC274330
High Similarity 0.9535 NPC270768
High Similarity 0.9535 NPC143232
High Similarity 0.9535 NPC293048
High Similarity 0.9535 NPC290972
High Similarity 0.9535 NPC61543
High Similarity 0.9535 NPC25906
High Similarity 0.9535 NPC198664
High Similarity 0.9535 NPC64872
High Similarity 0.9535 NPC130520
High Similarity 0.9529 NPC130577
High Similarity 0.9529 NPC98442
High Similarity 0.9529 NPC293564
High Similarity 0.9529 NPC88716
High Similarity 0.9529 NPC142415
High Similarity 0.9529 NPC68160
High Similarity 0.9529 NPC307426
High Similarity 0.9529 NPC171203
High Similarity 0.9529 NPC102683
High Similarity 0.9529 NPC51700
High Similarity 0.9529 NPC242468
High Similarity 0.9529 NPC18064
High Similarity 0.9425 NPC120968
High Similarity 0.9425 NPC470589
High Similarity 0.9425 NPC227467
High Similarity 0.9425 NPC210037
High Similarity 0.9425 NPC477872
High Similarity 0.9425 NPC111110
High Similarity 0.9425 NPC18872
High Similarity 0.9425 NPC7260
High Similarity 0.9425 NPC273621
High Similarity 0.9425 NPC46441
High Similarity 0.9425 NPC290614
High Similarity 0.9425 NPC126369
High Similarity 0.9425 NPC193750
High Similarity 0.9425 NPC130278
High Similarity 0.9419 NPC246708
High Similarity 0.9419 NPC290690
High Similarity 0.9419 NPC470629
High Similarity 0.9419 NPC473242
High Similarity 0.9419 NPC17733
High Similarity 0.9419 NPC40552
High Similarity 0.9419 NPC474512
High Similarity 0.9419 NPC181225
High Similarity 0.9412 NPC72638
High Similarity 0.9341 NPC471966
High Similarity 0.9326 NPC474529
High Similarity 0.9318 NPC235884
High Similarity 0.9318 NPC966
High Similarity 0.9318 NPC472149
High Similarity 0.9318 NPC25299
High Similarity 0.9318 NPC6255
High Similarity 0.9318 NPC155120
High Similarity 0.9318 NPC282616
High Similarity 0.9318 NPC52021
High Similarity 0.9318 NPC84319
High Similarity 0.9318 NPC38754
High Similarity 0.9318 NPC187722
High Similarity 0.9318 NPC228784
High Similarity 0.9318 NPC471588
High Similarity 0.9318 NPC288833
High Similarity 0.9318 NPC324341
High Similarity 0.9318 NPC71074
High Similarity 0.9318 NPC300351
High Similarity 0.9318 NPC306541
High Similarity 0.931 NPC474972
High Similarity 0.931 NPC161751
High Similarity 0.931 NPC95246
High Similarity 0.931 NPC470588
High Similarity 0.9294 NPC133954
High Similarity 0.9231 NPC26413
High Similarity 0.9213 NPC86368
High Similarity 0.9213 NPC158059
High Similarity 0.9213 NPC275809
High Similarity 0.9213 NPC74855
High Similarity 0.9213 NPC307335
High Similarity 0.9213 NPC229281
High Similarity 0.9213 NPC298554
High Similarity 0.9213 NPC136313
High Similarity 0.9213 NPC118519
High Similarity 0.9213 NPC202728
High Similarity 0.9213 NPC118490
High Similarity 0.9205 NPC86372
High Similarity 0.9205 NPC474728
High Similarity 0.9205 NPC172361
High Similarity 0.9205 NPC49320
High Similarity 0.9205 NPC113989
High Similarity 0.9205 NPC120840
High Similarity 0.9186 NPC74363
High Similarity 0.9186 NPC213412
High Similarity 0.9186 NPC475862
High Similarity 0.9176 NPC96095
High Similarity 0.9121 NPC157113
High Similarity 0.9121 NPC472806
High Similarity 0.9121 NPC167193
High Similarity 0.9121 NPC62516
High Similarity 0.9111 NPC32407
High Similarity 0.9111 NPC231063
High Similarity 0.9111 NPC20235
High Similarity 0.9111 NPC263548
High Similarity 0.9111 NPC299996
High Similarity 0.9111 NPC209868
High Similarity 0.9111 NPC145667
High Similarity 0.9111 NPC282395
High Similarity 0.9111 NPC159365
High Similarity 0.9111 NPC88116
High Similarity 0.9111 NPC114159
High Similarity 0.9111 NPC191412
High Similarity 0.9111 NPC6818
High Similarity 0.9111 NPC222047
High Similarity 0.9111 NPC91010
High Similarity 0.9101 NPC285184
High Similarity 0.9101 NPC60755
High Similarity 0.9101 NPC470590
High Similarity 0.9101 NPC77099
High Similarity 0.9101 NPC475708
High Similarity 0.9091 NPC30522
High Similarity 0.9091 NPC281524
High Similarity 0.9091 NPC474686
High Similarity 0.908 NPC158141
High Similarity 0.908 NPC173089
High Similarity 0.908 NPC73064
High Similarity 0.908 NPC71507
High Similarity 0.9022 NPC89225
High Similarity 0.9011 NPC474727
High Similarity 0.9011 NPC96916
High Similarity 0.9011 NPC473240
High Similarity 0.9011 NPC198245
High Similarity 0.9 NPC49776
High Similarity 0.9 NPC474806
High Similarity 0.9 NPC474436
High Similarity 0.9 NPC63118
High Similarity 0.9 NPC133579
High Similarity 0.8977 NPC230387
High Similarity 0.8977 NPC474511
High Similarity 0.8977 NPC1753
High Similarity 0.8977 NPC472802
High Similarity 0.8966 NPC73038
High Similarity 0.8966 NPC158393
High Similarity 0.8966 NPC235341
High Similarity 0.8966 NPC477579
High Similarity 0.8966 NPC56588
High Similarity 0.8966 NPC95594
High Similarity 0.8953 NPC180834
High Similarity 0.8953 NPC171789
High Similarity 0.8913 NPC132824
High Similarity 0.8913 NPC158371
High Similarity 0.8913 NPC73004
High Similarity 0.8913 NPC327179
High Similarity 0.8913 NPC173744
High Similarity 0.8913 NPC19376
High Similarity 0.8913 NPC230151
High Similarity 0.8913 NPC305464
High Similarity 0.8913 NPC25848
High Similarity 0.8913 NPC476327
High Similarity 0.8913 NPC116457
High Similarity 0.8913 NPC259733
High Similarity 0.8913 NPC204961
High Similarity 0.8913 NPC307282
High Similarity 0.8913 NPC476318
High Similarity 0.8913 NPC207922
High Similarity 0.8913 NPC201657
High Similarity 0.8901 NPC80365
High Similarity 0.8901 NPC60692
High Similarity 0.8901 NPC296164
High Similarity 0.8901 NPC23170
High Similarity 0.8901 NPC78580
High Similarity 0.8901 NPC188102
High Similarity 0.8901 NPC184006
High Similarity 0.8901 NPC148964
High Similarity 0.8901 NPC23621
High Similarity 0.8901 NPC87095
High Similarity 0.8889 NPC301244
High Similarity 0.8876 NPC69627
High Similarity 0.8876 NPC477973
High Similarity 0.8864 NPC162107
High Similarity 0.8864 NPC46912

Drug Structure

External Identifiers

TTD  
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  470.34
ALogP  1.6831
MLogP  4.32
XLogP  6.745
HDA  4
HBD  2
Rotatable Bonds  10
TPSA  74.6
RO5 Violation  1