MMsINC Database Search


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MMsINC code: MMs02325995

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O(\C=C\c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C15H14O/c1-13-7-9-15(10-8-13)16-12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8606 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -3.85812	SlogP: 4.04472	Reactive groups: 0

Topological Properties
Globularity: 0.00379068	Sterimol/B1: 2.29253	Sterimol/B2: 2.52511	Sterimol/B3: 3.2543
Sterimol/B4: 5.25091	Sterimol/L: 15.6393

Surface and Volume Properties
Accessible surface: 463.112	Positive charged surface: 239.662	Negative charged surface: 223.45	Volume: 226.625
Hydrophobic surface: 463.112	Hydrophilic surface: 0

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