MMsINC Database Search


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MMsINC code: MMs00465598

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1)C(O)C

InChI:

InChI=1/C15H16O2/c1-12(16)14-7-9-15(10-8-14)17-11-13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0695 kcal/mol

Physical Properties
Molecular Weight: 228.291 g/mol	logS: -3.30139	SlogP: 3.6808	Reactive groups: 0

Topological Properties
Globularity: 0.0671073	Sterimol/B1: 2.60233	Sterimol/B2: 2.94284	Sterimol/B3: 3.85199
Sterimol/B4: 4.04102	Sterimol/L: 16.2122

Surface and Volume Properties
Accessible surface: 480.4	Positive charged surface: 282.601	Negative charged surface: 197.799	Volume: 238.75
Hydrophobic surface: 406.081	Hydrophilic surface: 74.319

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.