NPASS drugs

Drug Information

Drug ID:	NPD8198
Drug Name:	D-Cycloserine; Cycloserine
Molecular Formula:	C3H6N2O2
Canonical SMILES:	N[C@@H]1CON=C1O
Standard InCHI:	InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1
Standard InCHIKey:	DYDCUQKUCUHJBH-UWTATZPHSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD; ChEMBL; IUPHAR/BPS

Structural Similarity Between NPASS Natural Products and NPD8198

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.

Range	Similarity Score Range
0-0.1	7476
0.1-0.2	20449
0.2-0.3	2194
0.3-0.4	497
0.4-0.5	221
0.5-0.6	46
0.6-0.7	6
0.7-0.8	0
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	1

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

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Similarity Level	Similarity Score	Natural Product ID
High Similarity	1.0	NPC105488
Remote Similarity	0.6341	NPC84444
Remote Similarity	0.6341	NPC145217
Remote Similarity	0.623	NPC118524
Remote Similarity	0.6226	NPC329495
Remote Similarity	0.6	NPC297220
Remote Similarity	0.6	NPC470666
Remote Similarity	0.5833	NPC219143
Remote Similarity	0.5833	NPC226265
Remote Similarity	0.5769	NPC153370

Showing 1 to 10 of 12 entries

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Drug Structure

External Identifiers

TTD	DAP001468; DAP001335
DrugBank	DB00260
ChEMBL	CHEMBL771
IUPHAR/BPS	9489
PharmaGKB	PA164764600
KEGG Drug
PubChem CID	6234
ChEBI	40009
CAS Number	68-41-7

Drug Properties

Molecular Weight	102.04
ALogP	-1.1311
MLogP	1.35
XLogP	-0.024
HDA	2
HBD	2
Rotatable Bonds	2
TPSA	67.84
RO5 Violation	0