MMsINC Database Search


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MMsINC code: MMs02235419

Type: Neutral
Formula: C₁₅H₁₆O

SMILES:

Oc1ccc(cc1C(C)c1ccccc1)C

InChI:

InChI=1/C15H16O/c1-11-8-9-15(16)14(10-11)12(2)13-6-4-3-5-7-13/h3-10,12,16H,1-2H3/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.4588 kcal/mol

Physical Properties
Molecular Weight: 212.292 g/mol	logS: -3.815	SlogP: 3.85242	Reactive groups: 0

Topological Properties
Globularity: 0.249545	Sterimol/B1: 2.37362	Sterimol/B2: 3.02386	Sterimol/B3: 4.6707
Sterimol/B4: 6.89184	Sterimol/L: 11.4901

Surface and Volume Properties
Accessible surface: 437.651	Positive charged surface: 263.771	Negative charged surface: 173.879	Volume: 228.75
Hydrophobic surface: 380.597	Hydrophilic surface: 57.054

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.