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MMsINC code: MMs03070405

Type: Ionized
Formula: C₂₃H₁₈NO₃-

SMILES:

O(c1cc2c([nH]c(-c3ccccc3C)c2CC(=O)[O-])cc1)c1ccccc1

InChI:

InChI=1/C23H19NO3/c1-15-7-5-6-10-18(15)23-20(14-22(25)26)19-13-17(11-12-21(19)24-23)27-16-8-3-2-4-9-16/h2-13,24H,14H2,1H3,(H,25,26)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5027 kcal/mol

Physical Properties
Molecular Weight: 356.401 g/mol	logS: -6.61791	SlogP: 4.22799	Reactive groups: 0

Topological Properties
Globularity: 0.0720775	Sterimol/B1: 2.46699	Sterimol/B2: 3.37685	Sterimol/B3: 4.67678
Sterimol/B4: 6.76126	Sterimol/L: 16.9562

Surface and Volume Properties
Accessible surface: 601.984	Positive charged surface: 328.372	Negative charged surface: 269.876	Volume: 349.25
Hydrophobic surface: 521.99	Hydrophilic surface: 79.994

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs03070404
PUBCHEM-ZINC03752720