MMsINC Database Search


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MMsINC code: MMs02999178

Type: Neutral
Formula: C₁₅H₁₄O

SMILES:

O=C(c1ccccc1CC)c1ccccc1

InChI:

InChI=1/C15H14O/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h3-11H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7792 kcal/mol

Physical Properties
Molecular Weight: 210.276 g/mol	logS: -4.44683	SlogP: 3.47997	Reactive groups: 0

Topological Properties
Globularity: 0.210835	Sterimol/B1: 2.38338	Sterimol/B2: 3.87441	Sterimol/B3: 4.01294
Sterimol/B4: 7.06716	Sterimol/L: 12.1843

Surface and Volume Properties
Accessible surface: 428.052	Positive charged surface: 240.966	Negative charged surface: 187.086	Volume: 224.875
Hydrophobic surface: 382.589	Hydrophilic surface: 45.463

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.