MMsINC Database Search


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MMsINC code: MMs03252287

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

OC(c1ccc(cc1C)C)c1ccccc1

InChI:

InChI=1/C15H16O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10,15-16H,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.2102 kcal/mol

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

Topological Properties
Globularity: 0.173254	Sterimol/B1: 2.54902	Sterimol/B2: 3.59108	Sterimol/B3: 4.92168
Sterimol/B4: 5.29242	Sterimol/L: 12.7882

Surface and Volume Properties
Accessible surface: 438.306	Positive charged surface: 239.804	Negative charged surface: 198.502	Volume: 228.625
Hydrophobic surface: 400.615	Hydrophilic surface: 37.691

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.