Drug Information

Drug ID:  NPD566
Drug Name:  Pilocarpine Hydrochloride
Molecular Formula:  C11H16N2O2.ClH
Canonical SMILES:  CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C.Cl
Standard InCHI:  InChI=1S/C11H16N2O2.ClH/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2;/h5,7-8,10H,3-4,6H2,1-2H3;1H/t8-,10-;/m0./s1
Standard InCHIKey:  RNAICSBVACLLGM-GNAZCLTHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD566

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 0.8042 NPC470139
Intermediate Similarity 0.7958 NPC470140
Intermediate Similarity 0.7801 NPC25465
Intermediate Similarity 0.7671 NPC210947
Intermediate Similarity 0.7639 NPC126634
Intermediate Similarity 0.7552 NPC470138
Intermediate Similarity 0.7431 NPC235501
Intermediate Similarity 0.736 NPC54537
Intermediate Similarity 0.7267 NPC286696
Intermediate Similarity 0.7255 NPC327477
Intermediate Similarity 0.7181 NPC18223
Intermediate Similarity 0.7181 NPC237812
Intermediate Similarity 0.7152 NPC185903
Intermediate Similarity 0.7078 NPC174020
Remote Similarity 0.6954 NPC470141
Remote Similarity 0.6722 NPC313504
Remote Similarity 0.6689 NPC180462
Remote Similarity 0.6687 NPC60537
Remote Similarity 0.6627 NPC124276
Remote Similarity 0.6463 NPC470142
Remote Similarity 0.6443 NPC15566
Remote Similarity 0.6389 NPC477118
Remote Similarity 0.6354 NPC477120
Remote Similarity 0.635 NPC326248
Remote Similarity 0.635 NPC187191
Remote Similarity 0.6319 NPC144474
Remote Similarity 0.6319 NPC527
Remote Similarity 0.6319 NPC133782
Remote Similarity 0.6304 NPC273327
Remote Similarity 0.6236 NPC477119
Remote Similarity 0.6221 NPC472790
Remote Similarity 0.6209 NPC101676
Remote Similarity 0.6183 NPC201900
Remote Similarity 0.6056 NPC155498
Remote Similarity 0.599 NPC238945
Remote Similarity 0.5989 NPC290959
Remote Similarity 0.5986 NPC327613
Remote Similarity 0.5916 NPC300139
Remote Similarity 0.5916 NPC233431
Remote Similarity 0.5915 NPC74306
Remote Similarity 0.5915 NPC111132
Remote Similarity 0.5915 NPC315642
Remote Similarity 0.5806 NPC472119
Remote Similarity 0.5793 NPC76544
Remote Similarity 0.5793 NPC167285
Remote Similarity 0.5793 NPC226184
Remote Similarity 0.5789 NPC207633
Remote Similarity 0.5743 NPC477417
Remote Similarity 0.5743 NPC477419
Remote Similarity 0.5735 NPC323244
Remote Similarity 0.5701 NPC328924
Remote Similarity 0.5698 NPC282531
Remote Similarity 0.5644 NPC320818
Remote Similarity 0.5643 NPC9639
Remote Similarity 0.561 NPC54744
Remote Similarity 0.5607 NPC473646
Remote Similarity 0.5604 NPC12100
Remote Similarity 0.56 NPC472833

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  208.12
ALogP  -0.5891
MLogP  2.23
XLogP  1.307
HDA  4
HBD  0
Rotatable Bonds  5
TPSA  44.12
RO5 Violation  0