NPASS drugs

Drug Information

Drug ID:	NPD1989
Drug Name:	Felbinac prodrug (liposomal), Lederle
Molecular Formula:	C16H16O2
Canonical SMILES:	CCOC(=O)Cc1ccc(cc1)c1ccccc1
Standard InCHI:	InChI=1S/C16H16O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3
Standard InCHIKey:	NPPJLSILDPVHCM-UHFFFAOYSA-N
Max Developmental Stage:	Approved
Max Developmental Stage Source:	TTD

Structural Similarity Between NPASS Natural Products and NPD1989

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	137
0.1-0.2	826
0.2-0.3	1396
0.3-0.4	4725
0.4-0.5	10962
0.5-0.6	10606
0.6-0.7	1899
0.7-0.8	308
0.8-0.85	24
0.85-0.9	6
0.9-0.95	1
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

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Similarity Level	Similarity Score	Natural Product ID
High Similarity	0.9326	NPC9822
High Similarity	0.8876	NPC294134
High Similarity	0.8652	NPC288903
High Similarity	0.8602	NPC86670
High Similarity	0.8602	NPC70940
High Similarity	0.8602	NPC274455
High Similarity	0.8539	NPC323103
Intermediate Similarity	0.8462	NPC475710
Intermediate Similarity	0.8454	NPC226041
Intermediate Similarity	0.8454	NPC270654

Showing 1 to 10 of 200 entries

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Drug Structure

External Identifiers

TTD	DIB012892
DrugBank
ChEMBL
IUPHAR/BPS
PharmaGKB
KEGG Drug
PubChem CID
ChEBI
CAS Number

Drug Properties

Molecular Weight	240.12
ALogP	0.2964
MLogP	3
XLogP	7.054
HDA	2
HBD	0
Rotatable Bonds	6
TPSA	26.3
RO5 Violation	1