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MMsINC code: MMs02791678

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

OC(=O)Cc1ccc(cc1)-c1ccccc1C

InChI:

InChI=1/C15H14O2/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-15(16)17/h2-9H,10H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8342 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.31605	SlogP: 3.28909	Reactive groups: 0

Topological Properties
Globularity: 0.0642161	Sterimol/B1: 2.08411	Sterimol/B2: 3.02443	Sterimol/B3: 3.28804
Sterimol/B4: 6.41606	Sterimol/L: 14.8037

Surface and Volume Properties
Accessible surface: 452.449	Positive charged surface: 266.741	Negative charged surface: 183.032	Volume: 231.25
Hydrophobic surface: 358.048	Hydrophilic surface: 94.401

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02791679
PUBCHEM-ZINC01257461