MMsINC Database Search


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MMsINC code: MMs00112057

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(CC)c1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C15H14O2/c1-2-17-14-11-7-6-10-13(14)15(16)12-8-4-3-5-9-12/h3-11H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4001 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.83528	SlogP: 3.3163	Reactive groups: 0

Topological Properties
Globularity: 0.187191	Sterimol/B1: 2.29167	Sterimol/B2: 3.96767	Sterimol/B3: 4.50234
Sterimol/B4: 8.7596	Sterimol/L: 12.0828

Surface and Volume Properties
Accessible surface: 464.684	Positive charged surface: 270.378	Negative charged surface: 194.306	Volume: 234.625
Hydrophobic surface: 406.55	Hydrophilic surface: 58.134

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.