Drug Information

Drug ID:  NPD322
Drug Name:  Fasoracetam
Molecular Formula:  C10H16N2O2
Canonical SMILES:  OC1=N[C@H](CC1)C(=O)N1CCCCC1
Standard InCHI:  InChI=1S/C10H16N2O2/c13-9-5-4-8(11-9)10(14)12-6-2-1-3-7-12/h8H,1-7H2,(H,11,13)/t8-/m1/s1
Standard InCHIKey:  GOWRRBABHQUJMX-MRVPVSSYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD322

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 0.7681 NPC128005
Intermediate Similarity 0.7681 NPC84182
Intermediate Similarity 0.7671 NPC161774
Intermediate Similarity 0.7671 NPC266888
Intermediate Similarity 0.7671 NPC209156
Intermediate Similarity 0.7671 NPC256312
Intermediate Similarity 0.7639 NPC214532
Intermediate Similarity 0.7639 NPC196007
Intermediate Similarity 0.7639 NPC76297
Intermediate Similarity 0.76 NPC59867
Intermediate Similarity 0.75 NPC243964
Intermediate Similarity 0.7403 NPC312315
Intermediate Similarity 0.7215 NPC475542
Intermediate Similarity 0.7162 NPC470781
Intermediate Similarity 0.7 NPC470783
Remote Similarity 0.6974 NPC126186
Remote Similarity 0.6795 NPC470782
Remote Similarity 0.6543 NPC31756
Remote Similarity 0.6486 NPC287693
Remote Similarity 0.6463 NPC476156
Remote Similarity 0.6463 NPC476117
Remote Similarity 0.6463 NPC476137
Remote Similarity 0.6463 NPC476243
Remote Similarity 0.6447 NPC322274
Remote Similarity 0.641 NPC29326
Remote Similarity 0.6386 NPC476302
Remote Similarity 0.6338 NPC34838
Remote Similarity 0.6338 NPC292299
Remote Similarity 0.6329 NPC320221
Remote Similarity 0.631 NPC84128
Remote Similarity 0.631 NPC53858
Remote Similarity 0.6269 NPC19576
Remote Similarity 0.6269 NPC29950
Remote Similarity 0.625 NPC327272
Remote Similarity 0.625 NPC263207
Remote Similarity 0.6216 NPC57420
Remote Similarity 0.6118 NPC184473
Remote Similarity 0.6111 NPC474593
Remote Similarity 0.6111 NPC475801
Remote Similarity 0.6087 NPC301010
Remote Similarity 0.6044 NPC474576
Remote Similarity 0.6023 NPC477539
Remote Similarity 0.6022 NPC280066
Remote Similarity 0.6 NPC275715
Remote Similarity 0.5978 NPC173763
Remote Similarity 0.5978 NPC471098
Remote Similarity 0.5978 NPC62263
Remote Similarity 0.5977 NPC472351
Remote Similarity 0.5938 NPC475440
Remote Similarity 0.593 NPC6902
Remote Similarity 0.5921 NPC262615
Remote Similarity 0.589 NPC321536
Remote Similarity 0.5882 NPC327239
Remote Similarity 0.5867 NPC105297
Remote Similarity 0.5814 NPC23984
Remote Similarity 0.5811 NPC143722
Remote Similarity 0.5775 NPC322573
Remote Similarity 0.5773 NPC475188
Remote Similarity 0.5747 NPC284456
Remote Similarity 0.5729 NPC473597
Remote Similarity 0.5714 NPC473495
Remote Similarity 0.5714 NPC128559
Remote Similarity 0.5699 NPC477538
Remote Similarity 0.5696 NPC250953
Remote Similarity 0.5696 NPC306696
Remote Similarity 0.5694 NPC325985
Remote Similarity 0.5694 NPC38463
Remote Similarity 0.5682 NPC235078
Remote Similarity 0.5679 NPC328457
Remote Similarity 0.5676 NPC320598
Remote Similarity 0.5676 NPC254541
Remote Similarity 0.5658 NPC327252
Remote Similarity 0.5625 NPC117829

Drug Structure

External Identifiers

TTD   DIB016924
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  196.12
ALogP  -1.9675
MLogP  2.12
XLogP  0.149
HDA  4
HBD  1
Rotatable Bonds  3
TPSA  52.9
RO5 Violation  0