MMsINC Database Search


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MMsINC code: MMs02325621

Type: Neutral
Formula: C₁₅H₁₄O₂

SMILES:

O(C)c1ccc(cc1C(=O)c1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2317 kcal/mol

Physical Properties
Molecular Weight: 226.275 g/mol	logS: -3.98199	SlogP: 3.23462	Reactive groups: 0

Topological Properties
Globularity: 0.153632	Sterimol/B1: 2.25983	Sterimol/B2: 3.91533	Sterimol/B3: 4.58447
Sterimol/B4: 7.73654	Sterimol/L: 12.9854

Surface and Volume Properties
Accessible surface: 459.831	Positive charged surface: 282.179	Negative charged surface: 177.652	Volume: 233
Hydrophobic surface: 423.284	Hydrophilic surface: 36.547

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.