Drug Information

Drug ID:  NPD2694
Drug Name:  Anisotropine Methylbromide
Molecular Formula:  C17H32NO2.BrH
Canonical SMILES:  CCCC(C(=O)OC1CC2CCC(C1)[N+]2(C)C)CCC.[Br-]
Standard InCHI:  InChI=1S/C17H32NO2.BrH/c1-5-7-13(8-6-2)17(19)20-16-11-14-9-10-15(12-16)18(14,3)4;/h13-16H,5-12H2,1-4H3;1H/q+1;/p-1
Standard InCHIKey:  QSFKGMJOKUZAJM-UHFFFAOYSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD2694

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 0.8438 NPC319991
Intermediate Similarity 0.7564 NPC216090
Intermediate Similarity 0.7532 NPC233108
Intermediate Similarity 0.7531 NPC277918
Intermediate Similarity 0.7176 NPC322966
Intermediate Similarity 0.7013 NPC208657
Remote Similarity 0.6854 NPC469998
Remote Similarity 0.6739 NPC472736
Remote Similarity 0.6667 NPC473741
Remote Similarity 0.6667 NPC477145
Remote Similarity 0.6618 NPC277072
Remote Similarity 0.6618 NPC178263
Remote Similarity 0.6477 NPC52533
Remote Similarity 0.6452 NPC471843
Remote Similarity 0.6444 NPC476019
Remote Similarity 0.64 NPC472737
Remote Similarity 0.64 NPC469389
Remote Similarity 0.64 NPC472609
Remote Similarity 0.64 NPC469388
Remote Similarity 0.6375 NPC263281
Remote Similarity 0.6375 NPC178919
Remote Similarity 0.6329 NPC255050
Remote Similarity 0.6329 NPC127553
Remote Similarity 0.6316 NPC326651
Remote Similarity 0.6316 NPC325117
Remote Similarity 0.6316 NPC322319
Remote Similarity 0.6316 NPC220234
Remote Similarity 0.6289 NPC287638
Remote Similarity 0.6289 NPC233274
Remote Similarity 0.6289 NPC194750
Remote Similarity 0.6222 NPC203170
Remote Similarity 0.6203 NPC478256
Remote Similarity 0.6196 NPC62263
Remote Similarity 0.6196 NPC471098
Remote Similarity 0.6196 NPC173763
Remote Similarity 0.6173 NPC43219
Remote Similarity 0.6154 NPC475801
Remote Similarity 0.6154 NPC474593
Remote Similarity 0.6125 NPC306973
Remote Similarity 0.6122 NPC124554
Remote Similarity 0.6122 NPC5864
Remote Similarity 0.6122 NPC301148
Remote Similarity 0.6111 NPC471443
Remote Similarity 0.6111 NPC471605
Remote Similarity 0.6098 NPC86064
Remote Similarity 0.6087 NPC474576
Remote Similarity 0.6087 NPC312637
Remote Similarity 0.6061 NPC97336
Remote Similarity 0.6061 NPC308301
Remote Similarity 0.6061 NPC282440
Remote Similarity 0.6053 NPC57420
Remote Similarity 0.6 NPC112398
Remote Similarity 0.6 NPC124549
Remote Similarity 0.6 NPC150041
Remote Similarity 0.6 NPC133420
Remote Similarity 0.6 NPC87919
Remote Similarity 0.5974 NPC160661
Remote Similarity 0.597 NPC249754
Remote Similarity 0.5952 NPC330017
Remote Similarity 0.5949 NPC10716
Remote Similarity 0.5949 NPC171850
Remote Similarity 0.5942 NPC305182
Remote Similarity 0.5941 NPC471844
Remote Similarity 0.5941 NPC86906
Remote Similarity 0.5938 NPC476449
Remote Similarity 0.593 NPC474702
Remote Similarity 0.5909 NPC47135
Remote Similarity 0.5904 NPC470994
Remote Similarity 0.59 NPC265094
Remote Similarity 0.59 NPC198344
Remote Similarity 0.5897 NPC469926
Remote Similarity 0.5888 NPC470538
Remote Similarity 0.5882 NPC271562
Remote Similarity 0.5882 NPC176773
Remote Similarity 0.5876 NPC476344
Remote Similarity 0.5875 NPC29598
Remote Similarity 0.5875 NPC212866
Remote Similarity 0.5867 NPC226602
Remote Similarity 0.5867 NPC472020
Remote Similarity 0.5867 NPC472019
Remote Similarity 0.5859 NPC474348
Remote Similarity 0.5859 NPC188785
Remote Similarity 0.5843 NPC155670
Remote Similarity 0.5843 NPC145748
Remote Similarity 0.5843 NPC95478
Remote Similarity 0.5843 NPC320936
Remote Similarity 0.5833 NPC477002
Remote Similarity 0.5833 NPC471442
Remote Similarity 0.5833 NPC471423
Remote Similarity 0.5825 NPC171734
Remote Similarity 0.5825 NPC67009
Remote Similarity 0.58 NPC227622
Remote Similarity 0.5789 NPC477644
Remote Similarity 0.5789 NPC472021
Remote Similarity 0.5778 NPC227051
Remote Similarity 0.5775 NPC274499
Remote Similarity 0.5775 NPC8488
Remote Similarity 0.5775 NPC471607
Remote Similarity 0.5775 NPC333075
Remote Similarity 0.5769 NPC233034
Remote Similarity 0.575 NPC107224
Remote Similarity 0.5747 NPC90839
Remote Similarity 0.5733 NPC233364
Remote Similarity 0.5733 NPC471421
Remote Similarity 0.573 NPC93630
Remote Similarity 0.5714 NPC63511
Remote Similarity 0.5714 NPC241426
Remote Similarity 0.5698 NPC316242
Remote Similarity 0.5686 NPC44514
Remote Similarity 0.5682 NPC470783
Remote Similarity 0.5679 NPC15864
Remote Similarity 0.5679 NPC320663
Remote Similarity 0.5679 NPC224700
Remote Similarity 0.5672 NPC287231
Remote Similarity 0.5672 NPC47363
Remote Similarity 0.567 NPC174117
Remote Similarity 0.5663 NPC477641
Remote Similarity 0.5663 NPC320865
Remote Similarity 0.5663 NPC477643
Remote Similarity 0.566 NPC79238
Remote Similarity 0.566 NPC58281
Remote Similarity 0.5657 NPC220111
Remote Similarity 0.5652 NPC469861
Remote Similarity 0.5652 NPC322672
Remote Similarity 0.5652 NPC469860
Remote Similarity 0.5652 NPC130436
Remote Similarity 0.5641 NPC163134
Remote Similarity 0.5641 NPC471419
Remote Similarity 0.5638 NPC477729
Remote Similarity 0.5634 NPC314084
Remote Similarity 0.5632 NPC315131
Remote Similarity 0.5632 NPC473984
Remote Similarity 0.5632 NPC315535
Remote Similarity 0.5632 NPC478017
Remote Similarity 0.5631 NPC233256
Remote Similarity 0.5631 NPC195841
Remote Similarity 0.5631 NPC93179
Remote Similarity 0.5618 NPC31313
Remote Similarity 0.5618 NPC288415
Remote Similarity 0.5618 NPC45906
Remote Similarity 0.5618 NPC149908
Remote Similarity 0.5614 NPC477518
Remote Similarity 0.5612 NPC134504
Remote Similarity 0.5612 NPC313821
Remote Similarity 0.5612 NPC47076
Remote Similarity 0.561 NPC477642
Remote Similarity 0.5607 NPC43648

Drug Structure

External Identifiers

TTD   DAP000837
DrugBank   DB00517
ChEMBL   CHEMBL1578
IUPHAR/BPS  
PharmaGKB   PA164754880
KEGG Drug   D00232
PubChem CID  
ChEBI   2739
CAS Number  80-50-2

Drug Properties

Molecular Weight  282.24
ALogP  -2.7405
MLogP  3
XLogP  3.848
HDA  2
HBD  0
Rotatable Bonds  11
TPSA  26.3
RO5 Violation  0