Drug Information

Drug ID:  NPD856
Drug Name:  Bamethan
Molecular Formula:  C12H19NO2
Canonical SMILES:  CCCCNCC(c1ccc(cc1)O)O
Standard InCHI:  InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
Standard InCHIKey:  RDUHXGIIUDVSHR-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD856

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 0.9817 NPC10286
High Similarity 0.9817 NPC213
High Similarity 0.9266 NPC290566
High Similarity 0.9266 NPC145638
High Similarity 0.8957 NPC137096
High Similarity 0.8843 NPC236347
High Similarity 0.8843 NPC323775
High Similarity 0.8689 NPC322366
High Similarity 0.8624 NPC327226
High Similarity 0.8595 NPC307020
Intermediate Similarity 0.8468 NPC226778
Intermediate Similarity 0.8468 NPC150254
Intermediate Similarity 0.8468 NPC304761
Intermediate Similarity 0.8468 NPC147000
Intermediate Similarity 0.844 NPC125732
Intermediate Similarity 0.8417 NPC115627
Intermediate Similarity 0.8417 NPC118522
Intermediate Similarity 0.8417 NPC169207
Intermediate Similarity 0.8364 NPC155847
Intermediate Similarity 0.8364 NPC289381
Intermediate Similarity 0.825 NPC85276
Intermediate Similarity 0.8203 NPC208757
Intermediate Similarity 0.8165 NPC313650
Intermediate Similarity 0.8073 NPC20142
Intermediate Similarity 0.8073 NPC215351
Intermediate Similarity 0.8053 NPC178902
Intermediate Similarity 0.8053 NPC68055
Intermediate Similarity 0.8036 NPC228400
Intermediate Similarity 0.8036 NPC214200
Intermediate Similarity 0.8033 NPC283760
Intermediate Similarity 0.8018 NPC164514
Intermediate Similarity 0.8018 NPC226096
Intermediate Similarity 0.8018 NPC108606
Intermediate Similarity 0.8018 NPC303611
Intermediate Similarity 0.8018 NPC290515
Intermediate Similarity 0.8016 NPC320242
Intermediate Similarity 0.8 NPC231705
Intermediate Similarity 0.7982 NPC325292
Intermediate Similarity 0.7982 NPC138117
Intermediate Similarity 0.7949 NPC258056
Intermediate Similarity 0.7931 NPC142297
Intermediate Similarity 0.7899 NPC146422
Intermediate Similarity 0.7881 NPC474149
Intermediate Similarity 0.7876 NPC29601
Intermediate Similarity 0.7846 NPC329595
Intermediate Similarity 0.7846 NPC326599
Intermediate Similarity 0.7798 NPC300017
Intermediate Similarity 0.7798 NPC300478
Intermediate Similarity 0.7795 NPC62101
Intermediate Similarity 0.7795 NPC95733
Intermediate Similarity 0.7787 NPC106551
Intermediate Similarity 0.7787 NPC281686
Intermediate Similarity 0.7787 NPC188867
Intermediate Similarity 0.7786 NPC307123
Intermediate Similarity 0.7786 NPC247018
Intermediate Similarity 0.7786 NPC97870
Intermediate Similarity 0.7778 NPC168861
Intermediate Similarity 0.7769 NPC118202
Intermediate Similarity 0.7734 NPC136112
Intermediate Similarity 0.7734 NPC29477
Intermediate Similarity 0.7734 NPC318965
Intermediate Similarity 0.7734 NPC141739
Intermediate Similarity 0.7721 NPC204546
Intermediate Similarity 0.7712 NPC24101
Intermediate Similarity 0.7712 NPC96224
Intermediate Similarity 0.7712 NPC153690
Intermediate Similarity 0.7705 NPC317254
Intermediate Similarity 0.7699 NPC107619
Intermediate Similarity 0.7698 NPC474862
Intermediate Similarity 0.7632 NPC132078
Intermediate Similarity 0.7632 NPC78119
Intermediate Similarity 0.7632 NPC128723
Intermediate Similarity 0.7632 NPC51333
Intermediate Similarity 0.7632 NPC216468
Intermediate Similarity 0.763 NPC214988
Intermediate Similarity 0.7615 NPC25493
Intermediate Similarity 0.7615 NPC113460
Intermediate Similarity 0.7615 NPC104216
Intermediate Similarity 0.7612 NPC64205
Intermediate Similarity 0.7607 NPC42383
Intermediate Similarity 0.76 NPC239697
Intermediate Similarity 0.7578 NPC211218
Intermediate Similarity 0.7565 NPC213730
Intermediate Similarity 0.7563 NPC97811
Intermediate Similarity 0.7545 NPC280347
Intermediate Similarity 0.7545 NPC177420
Intermediate Similarity 0.7545 NPC318325
Intermediate Similarity 0.7545 NPC242240
Intermediate Similarity 0.7545 NPC123273
Intermediate Similarity 0.7544 NPC474073
Intermediate Similarity 0.7541 NPC59387
Intermediate Similarity 0.7541 NPC26524
Intermediate Similarity 0.7523 NPC23167
Intermediate Similarity 0.75 NPC82963
Intermediate Similarity 0.75 NPC24777
Intermediate Similarity 0.75 NPC91461
Intermediate Similarity 0.75 NPC7686
Intermediate Similarity 0.75 NPC298486
Intermediate Similarity 0.75 NPC40258
Intermediate Similarity 0.748 NPC142599
Intermediate Similarity 0.7477 NPC55561
Intermediate Similarity 0.7466 NPC37205
Intermediate Similarity 0.7466 NPC160931
Intermediate Similarity 0.7463 NPC267237
Intermediate Similarity 0.7458 NPC154899
Intermediate Similarity 0.7458 NPC233396
Intermediate Similarity 0.7442 NPC13020
Intermediate Similarity 0.7442 NPC140359
Intermediate Similarity 0.7442 NPC328267
Intermediate Similarity 0.744 NPC311737
Intermediate Similarity 0.744 NPC38458
Intermediate Similarity 0.7431 NPC197783
Intermediate Similarity 0.7424 NPC271808
Intermediate Similarity 0.7422 NPC27581
Intermediate Similarity 0.7407 NPC470441
Intermediate Similarity 0.7402 NPC321133
Intermediate Similarity 0.7395 NPC135464
Intermediate Similarity 0.7395 NPC92623
Intermediate Similarity 0.7391 NPC469360
Intermediate Similarity 0.7391 NPC251439
Intermediate Similarity 0.7388 NPC33338
Intermediate Similarity 0.7388 NPC302171
Intermediate Similarity 0.7388 NPC149379
Intermediate Similarity 0.7388 NPC300020
Intermediate Similarity 0.7387 NPC258219
Intermediate Similarity 0.7385 NPC171372
Intermediate Similarity 0.7381 NPC142638
Intermediate Similarity 0.7381 NPC317784
Intermediate Similarity 0.7373 NPC12278
Intermediate Similarity 0.7368 NPC474087
Intermediate Similarity 0.7368 NPC26244
Intermediate Similarity 0.7364 NPC184169
Intermediate Similarity 0.7355 NPC65855
Intermediate Similarity 0.7355 NPC292758
Intermediate Similarity 0.735 NPC471578
Intermediate Similarity 0.735 NPC101025
Intermediate Similarity 0.7344 NPC56634
Intermediate Similarity 0.7339 NPC248817
Intermediate Similarity 0.7339 NPC175313
Intermediate Similarity 0.7333 NPC305603
Intermediate Similarity 0.7333 NPC61033
Intermediate Similarity 0.7333 NPC251306
Intermediate Similarity 0.7333 NPC186469
Intermediate Similarity 0.7328 NPC80027
Intermediate Similarity 0.7323 NPC319950
Intermediate Similarity 0.7323 NPC43275
Intermediate Similarity 0.7319 NPC197921
Intermediate Similarity 0.7313 NPC326966
Intermediate Similarity 0.7311 NPC471350
Intermediate Similarity 0.7308 NPC318777
Intermediate Similarity 0.7304 NPC473388
Intermediate Similarity 0.7299 NPC473052
Intermediate Similarity 0.7299 NPC473055
Intermediate Similarity 0.7295 NPC475018
Intermediate Similarity 0.7293 NPC325651
Intermediate Similarity 0.7288 NPC305205
Intermediate Similarity 0.7287 NPC142577
Intermediate Similarity 0.7281 NPC316301
Intermediate Similarity 0.7281 NPC151715
Intermediate Similarity 0.7281 NPC27323
Intermediate Similarity 0.728 NPC101139
Intermediate Similarity 0.7273 NPC317305
Intermediate Similarity 0.7273 NPC218323
Intermediate Similarity 0.7266 NPC91953
Intermediate Similarity 0.7265 NPC294741
Intermediate Similarity 0.7265 NPC130103
Intermediate Similarity 0.7257 NPC304541
Intermediate Similarity 0.7257 NPC45040
Intermediate Similarity 0.7257 NPC270547
Intermediate Similarity 0.7248 NPC124436
Intermediate Similarity 0.7248 NPC265146
Intermediate Similarity 0.7246 NPC322526
Intermediate Similarity 0.7246 NPC48202
Intermediate Similarity 0.7246 NPC41473
Intermediate Similarity 0.7246 NPC14600
Intermediate Similarity 0.7246 NPC204848
Intermediate Similarity 0.7246 NPC312770
Intermediate Similarity 0.7246 NPC160607
Intermediate Similarity 0.7239 NPC262641
Intermediate Similarity 0.7232 NPC98772
Intermediate Similarity 0.7218 NPC17374
Intermediate Similarity 0.7214 NPC326241
Intermediate Similarity 0.7213 NPC306045
Intermediate Similarity 0.7213 NPC473524
Intermediate Similarity 0.7213 NPC265211
Intermediate Similarity 0.7209 NPC326079
Intermediate Similarity 0.7209 NPC284078
Intermediate Similarity 0.7209 NPC318357
Intermediate Similarity 0.7207 NPC407
Intermediate Similarity 0.7207 NPC307235
Intermediate Similarity 0.7203 NPC110764
Intermediate Similarity 0.72 NPC12656
Intermediate Similarity 0.72 NPC115803
Intermediate Similarity 0.7194 NPC170170
Intermediate Similarity 0.7194 NPC219233
Intermediate Similarity 0.7194 NPC211468
Intermediate Similarity 0.7194 NPC150712
Intermediate Similarity 0.7188 NPC268572
Intermediate Similarity 0.7179 NPC92730
Intermediate Similarity 0.7179 NPC100870

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  209.14
ALogP  -1.8929
MLogP  2.45
XLogP  1.814
HDA  2
HBD  3
Rotatable Bonds  9
TPSA  52.49
RO5 Violation  0