MMsINC Database Search


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MMsINC code: MMs00022297

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

OC(c1ccc(cc1)C)c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3304 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -3.87164	SlogP: 3.48064	Reactive groups: 0

Topological Properties
Globularity: 0.167724	Sterimol/B1: 2.49985	Sterimol/B2: 3.49674	Sterimol/B3: 3.83174
Sterimol/B4: 5.77739	Sterimol/L: 13.9226

Surface and Volume Properties
Accessible surface: 451.658	Positive charged surface: 256.64	Negative charged surface: 195.017	Volume: 232.25
Hydrophobic surface: 413.386	Hydrophilic surface: 38.272

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.