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MMsINC code: MMs02846156

Type: Neutral
Formula: C₁₉H₁₅NO₅

SMILES:

O1c2c(OC1)cc1n(C(=O)c3ccccc3)c(C)c(c1c2)CC(O)=O

InChI:

InChI=1/C19H15NO5/c1-11-13(8-18(21)22)14-7-16-17(25-10-24-16)9-15(14)20(11)19(23)12-5-3-2-4-6-12/h2-7,9H,8,10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2284 kcal/mol

Physical Properties
Molecular Weight: 337.331 g/mol	logS: -4.02336	SlogP: 2.99399	Reactive groups: 0

Topological Properties
Globularity: 0.125305	Sterimol/B1: 2.51691	Sterimol/B2: 3.89951	Sterimol/B3: 4.46264
Sterimol/B4: 9.89211	Sterimol/L: 13.7672

Surface and Volume Properties
Accessible surface: 556.404	Positive charged surface: 321.591	Negative charged surface: 232.835	Volume: 306.625
Hydrophobic surface: 381.626	Hydrophilic surface: 174.778

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02846157
PUBCHEM-ZINC02005846