MMsINC Database Search


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MMsINC code: MMs00023857

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CCO

InChI:

InChI=1/C15H16O2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9,16H,10-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6983 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.03565	SlogP: 3.06677	Reactive groups: 0

Topological Properties
Globularity: 0.0580846	Sterimol/B1: 3.51719	Sterimol/B2: 3.55531	Sterimol/B3: 3.65615
Sterimol/B4: 3.88092	Sterimol/L: 16.8548

Surface and Volume Properties
Accessible surface: 490.574	Positive charged surface: 302.942	Negative charged surface: 187.632	Volume: 238.25
Hydrophobic surface: 427.208	Hydrophilic surface: 63.366

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.