Drug Information

Drug ID:  NPD5976
Drug Name:  F-15063
Molecular Formula:  C24H29NO2
Canonical SMILES:  CC1(C)Cc2c(O1)c(OCCNCc1cccc(c1)C1=CCCC1)ccc2
Standard InCHI:  InChI=1S/C24H29NO2/c1-24(2)16-21-11-6-12-22(23(21)27-24)26-14-13-25-17-18-7-5-10-20(15-18)19-8-3-4-9-19/h5-8,10-12,15,25H,3-4,9,13-14,16-17H2,1-2H3
Standard InCHIKey:  RAIDOKRWKAIHOH-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD5976

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 0.8075 NPC124433
Intermediate Similarity 0.8075 NPC293871
Intermediate Similarity 0.7976 NPC267408
Intermediate Similarity 0.7826 NPC129603
Intermediate Similarity 0.7808 NPC172403
Intermediate Similarity 0.7764 NPC203784
Intermediate Similarity 0.7764 NPC126519
Intermediate Similarity 0.7764 NPC170503
Intermediate Similarity 0.7725 NPC6152
Intermediate Similarity 0.7718 NPC118419
Intermediate Similarity 0.7716 NPC315707
Intermediate Similarity 0.7716 NPC40389
Intermediate Similarity 0.7716 NPC148014
Intermediate Similarity 0.7716 NPC78359
Intermediate Similarity 0.7716 NPC65490
Intermediate Similarity 0.7708 NPC298486
Intermediate Similarity 0.7702 NPC244112
Intermediate Similarity 0.7697 NPC318591
Intermediate Similarity 0.7697 NPC231163
Intermediate Similarity 0.7688 NPC114124
Intermediate Similarity 0.7687 NPC98745
Intermediate Similarity 0.7667 NPC160692
Intermediate Similarity 0.7654 NPC37205
Intermediate Similarity 0.7654 NPC160931
Intermediate Similarity 0.7654 NPC323443
Intermediate Similarity 0.7654 NPC180756
Intermediate Similarity 0.7651 NPC86144
Intermediate Similarity 0.7651 NPC304659
Intermediate Similarity 0.764 NPC477564
Intermediate Similarity 0.764 NPC2295
Intermediate Similarity 0.761 NPC207824
Intermediate Similarity 0.761 NPC60538
Intermediate Similarity 0.7605 NPC204947
Intermediate Similarity 0.7595 NPC90844
Intermediate Similarity 0.7595 NPC95075
Intermediate Similarity 0.7595 NPC253883
Intermediate Similarity 0.7584 NPC262641
Intermediate Similarity 0.7582 NPC253429
Intermediate Similarity 0.7572 NPC476575
Intermediate Similarity 0.7566 NPC11147
Intermediate Similarity 0.7548 NPC323204
Intermediate Similarity 0.7544 NPC112575
Intermediate Similarity 0.753 NPC189470
Intermediate Similarity 0.7529 NPC66341
Intermediate Similarity 0.7529 NPC192135
Intermediate Similarity 0.7529 NPC477020
Intermediate Similarity 0.7517 NPC211992
Intermediate Similarity 0.7516 NPC76213
Intermediate Similarity 0.7516 NPC277669
Intermediate Similarity 0.7515 NPC26240
Intermediate Similarity 0.7515 NPC69712
Intermediate Similarity 0.7515 NPC477562
Intermediate Similarity 0.7515 NPC18402
Intermediate Similarity 0.7514 NPC32413
Intermediate Similarity 0.7514 NPC474506
Intermediate Similarity 0.75 NPC219162
Intermediate Similarity 0.75 NPC211296
Intermediate Similarity 0.75 NPC23219
Intermediate Similarity 0.75 NPC150879
Intermediate Similarity 0.75 NPC476572
Intermediate Similarity 0.7485 NPC99659
Intermediate Similarity 0.7485 NPC325871
Intermediate Similarity 0.7485 NPC477558
Intermediate Similarity 0.7485 NPC225774
Intermediate Similarity 0.7484 NPC314682
Intermediate Similarity 0.7471 NPC275132
Intermediate Similarity 0.7468 NPC193528
Intermediate Similarity 0.7457 NPC470879
Intermediate Similarity 0.7457 NPC243454
Intermediate Similarity 0.7457 NPC475479
Intermediate Similarity 0.7457 NPC258695
Intermediate Similarity 0.7451 NPC90083
Intermediate Similarity 0.7451 NPC170779
Intermediate Similarity 0.744 NPC81247
Intermediate Similarity 0.744 NPC35627
Intermediate Similarity 0.744 NPC476432
Intermediate Similarity 0.744 NPC24264
Intermediate Similarity 0.744 NPC219341
Intermediate Similarity 0.744 NPC476573
Intermediate Similarity 0.7436 NPC328750
Intermediate Similarity 0.7436 NPC213206
Intermediate Similarity 0.7436 NPC188163
Intermediate Similarity 0.7436 NPC474915
Intermediate Similarity 0.7434 NPC230219
Intermediate Similarity 0.7432 NPC141739
Intermediate Similarity 0.7432 NPC136112
Intermediate Similarity 0.7429 NPC135772
Intermediate Similarity 0.7425 NPC475393
Intermediate Similarity 0.7421 NPC473934
Intermediate Similarity 0.7416 NPC475754
Intermediate Similarity 0.7414 NPC476574
Intermediate Similarity 0.7414 NPC477561
Intermediate Similarity 0.7414 NPC239584
Intermediate Similarity 0.7414 NPC312918
Intermediate Similarity 0.7414 NPC155442
Intermediate Similarity 0.7413 NPC120075
Intermediate Similarity 0.7407 NPC81733
Intermediate Similarity 0.7407 NPC326316
Intermediate Similarity 0.7396 NPC284842
Intermediate Similarity 0.7396 NPC210918
Intermediate Similarity 0.7396 NPC247389
Intermediate Similarity 0.7386 NPC26394
Intermediate Similarity 0.7381 NPC39103
Intermediate Similarity 0.7381 NPC167546
Intermediate Similarity 0.7381 NPC169743
Intermediate Similarity 0.7381 NPC16805
Intermediate Similarity 0.7381 NPC302527
Intermediate Similarity 0.7381 NPC2770
Intermediate Similarity 0.7378 NPC76079
Intermediate Similarity 0.7375 NPC210437
Intermediate Similarity 0.7375 NPC476144
Intermediate Similarity 0.7375 NPC144863
Intermediate Similarity 0.7375 NPC476151
Intermediate Similarity 0.7375 NPC16107
Intermediate Similarity 0.7375 NPC106295
Intermediate Similarity 0.7375 NPC51957
Intermediate Similarity 0.7374 NPC117717
Intermediate Similarity 0.7365 NPC105513
Intermediate Similarity 0.7365 NPC60186
Intermediate Similarity 0.7362 NPC26601
Intermediate Similarity 0.7362 NPC203424
Intermediate Similarity 0.7362 NPC206372
Intermediate Similarity 0.736 NPC281581
Intermediate Similarity 0.7358 NPC145304
Intermediate Similarity 0.7358 NPC110337
Intermediate Similarity 0.7356 NPC220961
Intermediate Similarity 0.7356 NPC126284
Intermediate Similarity 0.7356 NPC474507
Intermediate Similarity 0.7355 NPC78047
Intermediate Similarity 0.7351 NPC160193
Intermediate Similarity 0.7349 NPC477080
Intermediate Similarity 0.7349 NPC7393
Intermediate Similarity 0.7346 NPC13397
Intermediate Similarity 0.7341 NPC173416
Intermediate Similarity 0.7341 NPC476577
Intermediate Similarity 0.7341 NPC148709
Intermediate Similarity 0.7338 NPC49603
Intermediate Similarity 0.7338 NPC187616
Intermediate Similarity 0.7338 NPC193026
Intermediate Similarity 0.7337 NPC124657
Intermediate Similarity 0.733 NPC156576
Intermediate Similarity 0.7329 NPC475959
Intermediate Similarity 0.7329 NPC130941
Intermediate Similarity 0.7329 NPC7467
Intermediate Similarity 0.7326 NPC2314
Intermediate Similarity 0.7321 NPC233650
Intermediate Similarity 0.731 NPC152212
Intermediate Similarity 0.7308 NPC299583
Intermediate Similarity 0.7305 NPC160298
Intermediate Similarity 0.7305 NPC232924
Intermediate Similarity 0.7305 NPC477559
Intermediate Similarity 0.7305 NPC266753
Intermediate Similarity 0.7305 NPC306902
Intermediate Similarity 0.7303 NPC237579
Intermediate Similarity 0.7297 NPC217277
Intermediate Similarity 0.7297 NPC328267
Intermediate Similarity 0.7284 NPC477565
Intermediate Similarity 0.7284 NPC92541
Intermediate Similarity 0.7284 NPC103379
Intermediate Similarity 0.7279 NPC126935
Intermediate Similarity 0.7279 NPC57268
Intermediate Similarity 0.7279 NPC216929
Intermediate Similarity 0.7279 NPC172676
Intermediate Similarity 0.7279 NPC312713
Intermediate Similarity 0.7279 NPC65933
Intermediate Similarity 0.7278 NPC247972
Intermediate Similarity 0.7278 NPC134858
Intermediate Similarity 0.7273 NPC187022
Intermediate Similarity 0.7273 NPC80129
Intermediate Similarity 0.7273 NPC138487
Intermediate Similarity 0.7273 NPC248642
Intermediate Similarity 0.7273 NPC41178
Intermediate Similarity 0.7273 NPC216459
Intermediate Similarity 0.7267 NPC277857
Intermediate Similarity 0.7267 NPC115144
Intermediate Similarity 0.7256 NPC275027
Intermediate Similarity 0.7251 NPC83198
Intermediate Similarity 0.7251 NPC204908
Intermediate Similarity 0.725 NPC130926
Intermediate Similarity 0.725 NPC185838
Intermediate Similarity 0.7248 NPC34902
Intermediate Similarity 0.7248 NPC121783
Intermediate Similarity 0.7248 NPC18449
Intermediate Similarity 0.7247 NPC57036
Intermediate Similarity 0.7246 NPC59028
Intermediate Similarity 0.7246 NPC92191
Intermediate Similarity 0.7244 NPC177160
Intermediate Similarity 0.7244 NPC156502
Intermediate Similarity 0.7244 NPC10737
Intermediate Similarity 0.7244 NPC209985
Intermediate Similarity 0.7244 NPC54743
Intermediate Similarity 0.7244 NPC263367
Intermediate Similarity 0.7244 NPC477939
Intermediate Similarity 0.7244 NPC29799
Intermediate Similarity 0.7238 NPC256124
Intermediate Similarity 0.7233 NPC476567
Intermediate Similarity 0.7233 NPC128019
Intermediate Similarity 0.7233 NPC136860
Intermediate Similarity 0.7229 NPC477133
Intermediate Similarity 0.7229 NPC146288

Drug Structure

External Identifiers

TTD   DIB013949
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  363.22
ALogP  0.5237
MLogP  3.77
XLogP  6.641
HDA  1
HBD  1
Rotatable Bonds  9
TPSA  30.49
RO5 Violation  1