MMsINC Database Search


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MMsINC code: MMs02791689

Type: Neutral
Formula: C₁₅H₁₆O₂

SMILES:

O(Cc1ccccc1-c1cc(ccc1)CO)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9897 kcal/mol

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

Topological Properties
Globularity: 0.119168	Sterimol/B1: 2.00462	Sterimol/B2: 2.98651	Sterimol/B3: 4.379
Sterimol/B4: 8.59293	Sterimol/L: 12.4658

Surface and Volume Properties
Accessible surface: 471.401	Positive charged surface: 319.996	Negative charged surface: 147.769	Volume: 237.625
Hydrophobic surface: 403.713	Hydrophilic surface: 67.688

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.