MMsINC Database Search


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MMsINC code: MMs03442253

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C(=O)Cc1ccc(cc1)-c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5902 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -4.25446	SlogP: 3.06907	Reactive groups: 1

Topological Properties
Globularity: 0.0568093	Sterimol/B1: 2.05369	Sterimol/B2: 3.62508	Sterimol/B3: 3.63118
Sterimol/B4: 4.57198	Sterimol/L: 16.2679

Surface and Volume Properties
Accessible surface: 465.021	Positive charged surface: 281.461	Negative charged surface: 173.203	Volume: 233.625
Hydrophobic surface: 425.677	Hydrophilic surface: 39.344

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.