Drug Information

Drug ID:  NPD8215
Drug Name:  (R)-Cysteine
Molecular Formula:  C3H7NO2S
Canonical SMILES:  N[C@H](C(=O)O)CS
Standard InCHI:  "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1"
Standard InCHIKey:  XUJNEKJLAYXESH-REOHCLBHSA-N
Max Developmental Stage:  Phase 4
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8215

Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 1.0 NPC226265
High Similarity 1.0 NPC219143
High Similarity 1.0 NPC317120
High Similarity 1.0 NPC254482
High Similarity 1.0 NPC110533
High Similarity 1.0 NPC599894
High Similarity 1.0 NPC611396
High Similarity 1.0 NPC611872
High Similarity 0.9412 NPC317691
Intermediate Similarity 0.7 NPC283018
Remote Similarity 0.6667 NPC157215
Remote Similarity 0.6667 NPC49952
Remote Similarity 0.6667 NPC15417
Remote Similarity 0.6667 NPC319551
Remote Similarity 0.6667 NPC136476
Remote Similarity 0.6667 NPC66343
Remote Similarity 0.65 NPC196676
Remote Similarity 0.65 NPC270805
Remote Similarity 0.65 NPC93888
Remote Similarity 0.65 NPC325741
Remote Similarity 0.65 NPC604873
Remote Similarity 0.6471 NPC116709
Remote Similarity 0.6471 NPC21290
Remote Similarity 0.6471 NPC272614
Remote Similarity 0.6471 NPC7208
Remote Similarity 0.6471 NPC605942
Remote Similarity 0.6364 NPC140823
Remote Similarity 0.6364 NPC257948
Remote Similarity 0.619 NPC43169
Remote Similarity 0.619 NPC327895
Remote Similarity 0.619 NPC112224
Remote Similarity 0.619 NPC602393
Remote Similarity 0.619 NPC604906
Remote Similarity 0.619 NPC609420
Remote Similarity 0.6 NPC107645
Remote Similarity 0.5833 NPC321352
Remote Similarity 0.5789 NPC237525
Remote Similarity 0.5789 NPC326212
Remote Similarity 0.5789 NPC4347
Remote Similarity 0.5652 NPC56867
Remote Similarity 0.5652 NPC255204
Remote Similarity 0.5652 NPC190385
Remote Similarity 0.5652 NPC283312
Remote Similarity 0.5652 NPC168081
Remote Similarity 0.5652 NPC584408
Remote Similarity 0.5652 NPC608365
Remote Similarity 0.5556 NPC159089
Remote Similarity 0.55 NPC315349
Remote Similarity 0.55 NPC324808
Remote Similarity 0.55 NPC63621
Remote Similarity 0.55 NPC132307
Remote Similarity 0.55 NPC126925
Remote Similarity 0.55 NPC326992
Remote Similarity 0.55 NPC320262
Remote Similarity 0.55 NPC121517
Remote Similarity 0.55 NPC168375
Remote Similarity 0.55 NPC493325
Remote Similarity 0.55 NPC493747
Remote Similarity 0.55 NPC600066
Remote Similarity 0.55 NPC602461
Remote Similarity 0.55 NPC611850
Remote Similarity 0.5455 NPC232152
Remote Similarity 0.5455 NPC325965
Remote Similarity 0.5417 NPC561975
Remote Similarity 0.5385 NPC234316
Remote Similarity 0.5238 NPC208793
Remote Similarity 0.5238 NPC285322
Remote Similarity 0.5238 NPC118187
Remote Similarity 0.5238 NPC162282
Remote Similarity 0.5238 NPC323678
Remote Similarity 0.5238 NPC605275
Remote Similarity 0.5238 NPC606035
Remote Similarity 0.5238 NPC611960
Remote Similarity 0.5217 NPC153370
Remote Similarity 0.5217 NPC34908
Remote Similarity 0.52 NPC88898
Remote Similarity 0.52 NPC106216
Remote Similarity 0.52 NPC579382
Remote Similarity 0.5185 NPC183120
Remote Similarity 0.5185 NPC521841

Drug Structure

External Identifiers

TTD   DIB018028
DrugBank   DB00151
ChEMBL   CHEMBL863
IUPHAR/BPS  
PharmaGKB   PA449173
KEGG Drug   D00026
PubChem CID   5862
ChEBI   17561
CAS Number  52-90-4

Drug Properties

Molecular Weight  121.02
ALogP  -0.6242
MLogP  1.35
XLogP  -2.575
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  102.12
RO5 Violation  0