MMsINC Database Search


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MMsINC code: MMs02147480

Type: Neutral
Formula: C₁₅H₁₂O₂

SMILES:

O=C(c1ccccc1C(=O)C)c1ccccc1

InChI:

InChI=1/C15H12O2/c1-11(16)13-9-5-6-10-14(13)15(17)12-7-3-2-4-8-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9163 kcal/mol

Physical Properties
Molecular Weight: 224.259 g/mol	logS: -3.76996	SlogP: 3.1202	Reactive groups: 0

Topological Properties
Globularity: 0.178375	Sterimol/B1: 2.23486	Sterimol/B2: 3.7229	Sterimol/B3: 4.50454
Sterimol/B4: 7.43339	Sterimol/L: 12.3184

Surface and Volume Properties
Accessible surface: 431.498	Positive charged surface: 226.609	Negative charged surface: 204.889	Volume: 225.25
Hydrophobic surface: 380.969	Hydrophilic surface: 50.529

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.