Drug Information

Drug ID:  NPD4263
Drug Name:  
Molecular Formula:  C20H33NO
Canonical SMILES:  CC(Cc1ccc(cc1)C(C)(C)C)CN1C[C@H](C)O[C@@H](C1)C
Standard InCHI:  InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
Standard InCHIKey:  RYAUSSKQMZRMAI-ALOPSCKCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD4263

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
Intermediate Similarity 0.7358 NPC316797
Intermediate Similarity 0.7297 NPC158854
Intermediate Similarity 0.7292 NPC231986
Intermediate Similarity 0.7143 NPC24777
Intermediate Similarity 0.7143 NPC104070
Intermediate Similarity 0.7087 NPC470926
Intermediate Similarity 0.7037 NPC474582
Intermediate Similarity 0.703 NPC305602
Intermediate Similarity 0.703 NPC60408
Intermediate Similarity 0.703 NPC17497
Intermediate Similarity 0.7016 NPC40488
Intermediate Similarity 0.7 NPC314192
Remote Similarity 0.6991 NPC292758
Remote Similarity 0.6991 NPC65855
Remote Similarity 0.6899 NPC478140
Remote Similarity 0.6887 NPC58674
Remote Similarity 0.6881 NPC228400
Remote Similarity 0.6881 NPC214200
Remote Similarity 0.6803 NPC84281
Remote Similarity 0.6803 NPC291027
Remote Similarity 0.6803 NPC213126
Remote Similarity 0.6803 NPC317474
Remote Similarity 0.6803 NPC169485
Remote Similarity 0.6786 NPC474695
Remote Similarity 0.6786 NPC167336
Remote Similarity 0.6771 NPC271642
Remote Similarity 0.6703 NPC178527
Remote Similarity 0.67 NPC230068
Remote Similarity 0.6695 NPC246904
Remote Similarity 0.6693 NPC69496
Remote Similarity 0.6667 NPC313663
Remote Similarity 0.6667 NPC276699
Remote Similarity 0.6667 NPC239854
Remote Similarity 0.6667 NPC98976
Remote Similarity 0.6667 NPC245836
Remote Similarity 0.6667 NPC233910
Remote Similarity 0.6639 NPC473573
Remote Similarity 0.6636 NPC474974
Remote Similarity 0.6634 NPC474088
Remote Similarity 0.6602 NPC258046
Remote Similarity 0.6598 NPC139658
Remote Similarity 0.6593 NPC198023
Remote Similarity 0.6577 NPC469457
Remote Similarity 0.6574 NPC329430
Remote Similarity 0.6569 NPC133162
Remote Similarity 0.656 NPC307020
Remote Similarity 0.6549 NPC194390
Remote Similarity 0.6549 NPC113326
Remote Similarity 0.6549 NPC224610
Remote Similarity 0.6549 NPC88267
Remote Similarity 0.6542 NPC473661
Remote Similarity 0.6535 NPC105114
Remote Similarity 0.6535 NPC14326
Remote Similarity 0.6535 NPC152850
Remote Similarity 0.6535 NPC71933
Remote Similarity 0.6535 NPC89923
Remote Similarity 0.6535 NPC239990
Remote Similarity 0.6531 NPC249018
Remote Similarity 0.6531 NPC3190
Remote Similarity 0.6531 NPC290638
Remote Similarity 0.6518 NPC327226
Remote Similarity 0.6508 NPC474847
Remote Similarity 0.6505 NPC475710
Remote Similarity 0.6505 NPC3210
Remote Similarity 0.65 NPC157055
Remote Similarity 0.6491 NPC473418
Remote Similarity 0.6484 NPC88566
Remote Similarity 0.6465 NPC103488
Remote Similarity 0.6458 NPC54269
Remote Similarity 0.6457 NPC136453
Remote Similarity 0.6455 NPC324602
Remote Similarity 0.6452 NPC316896
Remote Similarity 0.6449 NPC220596
Remote Similarity 0.6449 NPC245259
Remote Similarity 0.6449 NPC125226
Remote Similarity 0.6442 NPC203076
Remote Similarity 0.6441 NPC269340
Remote Similarity 0.6415 NPC298115
Remote Similarity 0.6408 NPC169016
Remote Similarity 0.6406 NPC478079
Remote Similarity 0.6404 NPC147000
Remote Similarity 0.6404 NPC226778
Remote Similarity 0.6404 NPC304761
Remote Similarity 0.6404 NPC150254
Remote Similarity 0.64 NPC469894
Remote Similarity 0.64 NPC159661
Remote Similarity 0.6396 NPC322598
Remote Similarity 0.6385 NPC157311
Remote Similarity 0.6381 NPC473031
Remote Similarity 0.6374 NPC29680
Remote Similarity 0.6364 NPC25565
Remote Similarity 0.6355 NPC209764
Remote Similarity 0.6355 NPC78041
Remote Similarity 0.6355 NPC159178
Remote Similarity 0.6355 NPC74936
Remote Similarity 0.6355 NPC471307
Remote Similarity 0.6355 NPC121872
Remote Similarity 0.6355 NPC141139
Remote Similarity 0.6341 NPC310467
Remote Similarity 0.6337 NPC184030
Remote Similarity 0.6337 NPC164449
Remote Similarity 0.6337 NPC17408
Remote Similarity 0.6337 NPC285716
Remote Similarity 0.6336 NPC8761
Remote Similarity 0.6336 NPC44805
Remote Similarity 0.6336 NPC246079
Remote Similarity 0.633 NPC322040
Remote Similarity 0.6324 NPC161069
Remote Similarity 0.6321 NPC12429
Remote Similarity 0.6311 NPC477770
Remote Similarity 0.6306 NPC473501
Remote Similarity 0.6306 NPC475439
Remote Similarity 0.6306 NPC472258
Remote Similarity 0.63 NPC12857
Remote Similarity 0.6296 NPC239762
Remote Similarity 0.6296 NPC163392
Remote Similarity 0.6289 NPC244738
Remote Similarity 0.6283 NPC245927
Remote Similarity 0.6277 NPC267443
Remote Similarity 0.6275 NPC242628
Remote Similarity 0.6273 NPC161972
Remote Similarity 0.6273 NPC303045
Remote Similarity 0.6273 NPC256452
Remote Similarity 0.627 NPC252878
Remote Similarity 0.6264 NPC210849
Remote Similarity 0.6264 NPC248705
Remote Similarity 0.6264 NPC54368
Remote Similarity 0.6264 NPC135924
Remote Similarity 0.6262 NPC470877
Remote Similarity 0.6261 NPC56168
Remote Similarity 0.626 NPC169328
Remote Similarity 0.625 NPC477249
Remote Similarity 0.625 NPC229235
Remote Similarity 0.625 NPC477248
Remote Similarity 0.625 NPC273814
Remote Similarity 0.6241 NPC132847
Remote Similarity 0.6241 NPC325568
Remote Similarity 0.624 NPC190663
Remote Similarity 0.624 NPC477061
Remote Similarity 0.624 NPC80150
Remote Similarity 0.624 NPC45777
Remote Similarity 0.624 NPC326232
Remote Similarity 0.6237 NPC155172
Remote Similarity 0.6237 NPC32312
Remote Similarity 0.6232 NPC473922
Remote Similarity 0.6231 NPC268763
Remote Similarity 0.6231 NPC66177
Remote Similarity 0.6231 NPC8305
Remote Similarity 0.6224 NPC112609
Remote Similarity 0.6224 NPC113000
Remote Similarity 0.6224 NPC122327
Remote Similarity 0.622 NPC472415
Remote Similarity 0.622 NPC46427
Remote Similarity 0.6216 NPC471319
Remote Similarity 0.6216 NPC471320
Remote Similarity 0.6214 NPC73637
Remote Similarity 0.6214 NPC121478
Remote Similarity 0.621 NPC264580
Remote Similarity 0.621 NPC237420
Remote Similarity 0.6202 NPC65310
Remote Similarity 0.62 NPC298023
Remote Similarity 0.6182 NPC471309
Remote Similarity 0.6179 NPC470544
Remote Similarity 0.6176 NPC476560
Remote Similarity 0.6176 NPC475573
Remote Similarity 0.6176 NPC475289
Remote Similarity 0.6172 NPC285394
Remote Similarity 0.6161 NPC226041
Remote Similarity 0.6154 NPC45033
Remote Similarity 0.6148 NPC127741
Remote Similarity 0.6148 NPC33742
Remote Similarity 0.6143 NPC138775
Remote Similarity 0.6143 NPC116519
Remote Similarity 0.6142 NPC160493
Remote Similarity 0.6142 NPC26285
Remote Similarity 0.6142 NPC109151
Remote Similarity 0.6139 NPC224544
Remote Similarity 0.6139 NPC473695
Remote Similarity 0.6139 NPC473446
Remote Similarity 0.6136 NPC89769
Remote Similarity 0.6136 NPC126859
Remote Similarity 0.6136 NPC259665
Remote Similarity 0.6132 NPC243166
Remote Similarity 0.6129 NPC470545
Remote Similarity 0.6129 NPC45756
Remote Similarity 0.6126 NPC215351
Remote Similarity 0.6126 NPC20142
Remote Similarity 0.6124 NPC472165
Remote Similarity 0.6124 NPC79698
Remote Similarity 0.6124 NPC472414
Remote Similarity 0.6115 NPC5620
Remote Similarity 0.6111 NPC231591
Remote Similarity 0.6111 NPC321133
Remote Similarity 0.6111 NPC302169
Remote Similarity 0.6111 NPC476990
Remote Similarity 0.6111 NPC316582
Remote Similarity 0.6106 NPC164514
Remote Similarity 0.6106 NPC108606
Remote Similarity 0.6106 NPC303611
Remote Similarity 0.6106 NPC290515

Drug Structure

External Identifiers

TTD   DNAP001390
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   93365
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  303.26
ALogP  1.9065
MLogP  3.44
XLogP  7.143
HDA  2
HBD  0
Rotatable Bonds  11
TPSA  12.47
RO5 Violation  1