NPASS drugs

Drug Information

Drug ID:	NPD9093
Drug Name:	Phloroglucinol
Molecular Formula:	C6H6O3
Canonical SMILES:	Oc1cc(O)cc(c1)O
Standard InCHI:	InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
Standard InCHIKey:	QCDYQQDYXPDABM-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	ChEMBL

Structural Similarity Between NPASS Natural Products and NPD9093

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	189
0.1-0.2	2707
0.2-0.3	9723
0.3-0.4	5086
0.4-0.5	5966
0.5-0.6	5892
0.6-0.7	1108
0.7-0.8	203
0.8-0.85	8
0.85-0.9	5
0.9-0.95	1
0.95-1	2

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	NPC4154
High Similarity	0.9868	NPC270094
High Similarity	0.9146	NPC280254
High Similarity	0.8824	NPC288923
High Similarity	0.8816	NPC100980
High Similarity	0.8621	NPC295295
High Similarity	0.8608	NPC65517
High Similarity	0.8523	NPC16649
Intermediate Similarity	0.8293	NPC204932
Intermediate Similarity	0.8242	NPC291789

Showing 1 to 10 of 200 entries

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Drug Structure

External Identifiers

TTD	DIB010199
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	126.03
ALogP	-1.3809
MLogP	1.79
XLogP	-0.093
HDA	0
HBD	3
Rotatable Bonds	3
TPSA	60.69
RO5 Violation	0