NPASS drugs

Drug Information

Drug ID:	NPD9750
Drug Name:
Molecular Formula:	CH2O3
Canonical SMILES:	[O-]C(=O)[O-]
Standard InCHI:	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
Standard InCHIKey:	BVKZGUZCCUSVTD-UHFFFAOYSA-L
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD9750

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	29910
0.1-0.2	887
0.2-0.3	77
0.3-0.4	11
0.4-0.5	4
0.5-0.6	0
0.6-0.7	0
0.7-0.8	1
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

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	0.75	NPC327795

Drug Structure

External Identifiers

TTD	DIB004998
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	59.98
ALogP	-1.1933
MLogP	1.24
XLogP	-1.192
HDA	3
HBD	0
Rotatable Bonds	2
TPSA	63.19
RO5 Violation	0