Drug Information

Drug ID:  NPD9126
Drug Name:  Piperazine Citrate
Molecular Formula:  C6H8O7.C4H10N2
Canonical SMILES:  N1CCNCC1.OC(=O)C(CC(=O)O)(CC(=O)O)O
Standard InCHI:  InChI=1S/C6H8O7.C4H10N2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2-6-4-3-5-1/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-6H,1-4H2
Standard InCHIKey:  SWDXALWLRYIJHK-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9126

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 1.0 NPC293378
High Similarity 0.9184 NPC65985
High Similarity 0.9 NPC6883
High Similarity 0.8824 NPC60830
High Similarity 0.8824 NPC68743
High Similarity 0.88 NPC323401
High Similarity 0.88 NPC19676
High Similarity 0.8654 NPC198377
Intermediate Similarity 0.8333 NPC179624
Intermediate Similarity 0.8261 NPC310220
Intermediate Similarity 0.8148 NPC61567
Intermediate Similarity 0.7826 NPC240109
Intermediate Similarity 0.7551 NPC242655
Intermediate Similarity 0.7551 NPC38891
Intermediate Similarity 0.7391 NPC128713
Intermediate Similarity 0.7377 NPC241949
Intermediate Similarity 0.7222 NPC277878
Intermediate Similarity 0.7091 NPC196612
Remote Similarity 0.6939 NPC121018
Remote Similarity 0.6939 NPC24751
Remote Similarity 0.6939 NPC35661
Remote Similarity 0.6939 NPC192402
Remote Similarity 0.6939 NPC19044
Remote Similarity 0.6939 NPC100742
Remote Similarity 0.6939 NPC97444
Remote Similarity 0.6863 NPC270088
Remote Similarity 0.68 NPC313565
Remote Similarity 0.68 NPC228782
Remote Similarity 0.68 NPC259982
Remote Similarity 0.6792 NPC172086
Remote Similarity 0.6792 NPC247546
Remote Similarity 0.6731 NPC133771
Remote Similarity 0.6667 NPC46254
Remote Similarity 0.6667 NPC325454
Remote Similarity 0.6667 NPC125575
Remote Similarity 0.661 NPC293692
Remote Similarity 0.661 NPC220922
Remote Similarity 0.6607 NPC317680
Remote Similarity 0.6596 NPC1037
Remote Similarity 0.6458 NPC317945
Remote Similarity 0.6393 NPC323945
Remote Similarity 0.6346 NPC319680
Remote Similarity 0.6327 NPC38930
Remote Similarity 0.629 NPC320296
Remote Similarity 0.6212 NPC53879
Remote Similarity 0.6212 NPC57788
Remote Similarity 0.617 NPC7814
Remote Similarity 0.617 NPC127142
Remote Similarity 0.6122 NPC206924
Remote Similarity 0.6094 NPC317651
Remote Similarity 0.6094 NPC258690
Remote Similarity 0.6087 NPC212144
Remote Similarity 0.6078 NPC320331
Remote Similarity 0.6071 NPC328954
Remote Similarity 0.5902 NPC3547
Remote Similarity 0.5882 NPC316217
Remote Similarity 0.5882 NPC222792
Remote Similarity 0.5833 NPC307027
Remote Similarity 0.58 NPC109026
Remote Similarity 0.5789 NPC476469
Remote Similarity 0.5781 NPC469921
Remote Similarity 0.5778 NPC236709
Remote Similarity 0.5745 NPC280532
Remote Similarity 0.5735 NPC32148
Remote Similarity 0.5735 NPC469925
Remote Similarity 0.5694 NPC125164
Remote Similarity 0.5692 NPC469923
Remote Similarity 0.5652 NPC174368
Remote Similarity 0.5625 NPC475821
Remote Similarity 0.5625 NPC94196
Remote Similarity 0.5625 NPC18224
Remote Similarity 0.5625 NPC328710
Remote Similarity 0.5606 NPC106216
Remote Similarity 0.5606 NPC88898
Remote Similarity 0.56 NPC5505
Remote Similarity 0.56 NPC159089

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  192.03
ALogP  -1.395
MLogP  1.35
XLogP  -2.247
HDA  7
HBD  4
Rotatable Bonds  9
TPSA  132.13
RO5 Violation  0