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MMsINC code: MMs01270592

Type: Neutral
Formula: C₁₅H₁₃O₃-

SMILES:

O(Cc1ccccc1C)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C15H14O3/c1-11-6-2-3-7-12(11)10-18-14-9-5-4-8-13(14)15(16)17/h2-9H,10H2,1H3,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6981 kcal/mol

Physical Properties
Molecular Weight: 241.266 g/mol	logS: -3.90693	SlogP: 2.20392	Reactive groups: 0

Topological Properties
Globularity: 0.0313299	Sterimol/B1: 2.10186	Sterimol/B2: 2.91098	Sterimol/B3: 3.04557
Sterimol/B4: 7.25123	Sterimol/L: 14.0227

Surface and Volume Properties
Accessible surface: 457.117	Positive charged surface: 230.508	Negative charged surface: 226.609	Volume: 240
Hydrophobic surface: 377.9	Hydrophilic surface: 79.217

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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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Ions/Tautomers related molecules

MMs01270593
ENAMINE-ZINC02643728