MMsINC Database Search


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MMsINC code: MMs02792488

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(Cc1ccc(cc1)-c1ccc(cc1)CO)C

InChI:

InChI=1/C15H16O2/c1-17-11-13-4-8-15(9-5-13)14-6-2-12(10-16)3-7-14/h2-9,16H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.874 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.69848	SlogP: 3.5251	Reactive groups: 0

Topological Properties
Globularity: 0.0238705	Sterimol/B1: 2.52225	Sterimol/B2: 3.38613	Sterimol/B3: 3.62562
Sterimol/B4: 3.62963	Sterimol/L: 16.6383

Surface and Volume Properties
Accessible surface: 485.855	Positive charged surface: 315.123	Negative charged surface: 159.947	Volume: 237.625
Hydrophobic surface: 406.519	Hydrophilic surface: 79.336

Pharmacophoric Properties
Hydrogen bond donors: 1	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.