MMsINC Database Search


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MMsINC code: MMs02791311

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

OCc1ccc(cc1)-c1ccc(cc1)CC

InChI:

InChI=1/C15H16O/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10,16H,2,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1764 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -4.57142	SlogP: 3.67467	Reactive groups: 0

Topological Properties
Globularity: 0.0297343	Sterimol/B1: 2.12579	Sterimol/B2: 3.45742	Sterimol/B3: 3.62504
Sterimol/B4: 3.62933	Sterimol/L: 15.8582

Surface and Volume Properties
Accessible surface: 466.826	Positive charged surface: 270.261	Negative charged surface: 183.59	Volume: 228.75
Hydrophobic surface: 380.487	Hydrophilic surface: 86.339

Pharmacophoric Properties
Hydrogen bond donors: 1	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.