NPASS drugs

Drug Information

Drug ID:	NPD8237
Drug Name:	Glycerophosphoric Acid
Molecular Formula:	C3H9O6P
Canonical SMILES:	OCC(OP(=O)(O)O)CO
Standard InCHI:	InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
Standard InCHIKey:	DHCLVCXQIBBOPH-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD8237

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	3332
0.1-0.2	18973
0.2-0.3	7511
0.3-0.4	788
0.4-0.5	167
0.5-0.6	74
0.6-0.7	35
0.7-0.8	7
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	3

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	NPC31433
High Similarity	1.0	NPC266566
High Similarity	1.0	NPC321170
Intermediate Similarity	0.7931	NPC317545
Intermediate Similarity	0.7586	NPC157340
Intermediate Similarity	0.7188	NPC33415
Intermediate Similarity	0.7188	NPC301586
Intermediate Similarity	0.7179	NPC322956
Intermediate Similarity	0.7179	NPC325307
Intermediate Similarity	0.7	NPC114270
Remote Similarity	0.6875	NPC320326
Remote Similarity	0.6842	NPC328950
Remote Similarity	0.6829	NPC318951
Remote Similarity	0.6829	NPC320624
Remote Similarity	0.6774	NPC140389
Remote Similarity	0.6744	NPC81384
Remote Similarity	0.6571	NPC182541
Remote Similarity	0.6571	NPC149070
Remote Similarity	0.6571	NPC127074
Remote Similarity	0.6571	NPC187058
Remote Similarity	0.6571	NPC197207
Remote Similarity	0.6452	NPC314978
Remote Similarity	0.6444	NPC61270
Remote Similarity	0.6444	NPC325822
Remote Similarity	0.6444	NPC328954
Remote Similarity	0.6364	NPC68114
Remote Similarity	0.6304	NPC329128
Remote Similarity	0.6304	NPC322158
Remote Similarity	0.625	NPC88887
Remote Similarity	0.6207	NPC236761
Remote Similarity	0.617	NPC329095
Remote Similarity	0.6111	NPC329270
Remote Similarity	0.6053	NPC66052
Remote Similarity	0.6053	NPC192065
Remote Similarity	0.6053	NPC86412
Remote Similarity	0.6053	NPC293908
Remote Similarity	0.6053	NPC325034
Remote Similarity	0.6042	NPC320043
Remote Similarity	0.6042	NPC321102
Remote Similarity	0.6042	NPC325153
Remote Similarity	0.6042	NPC322803
Remote Similarity	0.6042	NPC278465
Remote Similarity	0.6042	NPC103672
Remote Similarity	0.6	NPC314613
Remote Similarity	0.6	NPC306022
Remote Similarity	0.5918	NPC314821
Remote Similarity	0.5918	NPC317626
Remote Similarity	0.5918	NPC317501
Remote Similarity	0.5882	NPC120097
Remote Similarity	0.5882	NPC272307
Remote Similarity	0.5806	NPC299484
Remote Similarity	0.5676	NPC317060
Remote Similarity	0.5667	NPC163707
Remote Similarity	0.5625	NPC39977

Drug Structure

External Identifiers

TTD
DrugBank	DB01779
ChEMBL	CHEMBL1232903
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI	17270
CAS Number

Drug Properties

Molecular Weight	172.01
ALogP	-1.3439
MLogP	1.02
XLogP	-3.109
HDA	6
HBD	4
Rotatable Bonds	8
TPSA	117.03
RO5 Violation	0