MMsINC Database Search


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MMsINC code: MMs02708134

Type: Neutral
Formula: C₁₄H₁₃FO₂

SMILES:

Fc1ccc(cc1)COc1cc(ccc1)CO

InChI:

InChI=1/C14H13FO2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8,16H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5078 kcal/mol

Physical Properties
Molecular Weight: 232.254 g/mol	logS: -3.26916	SlogP: 3.4298	Reactive groups: 0

Topological Properties
Globularity: 0.0725176	Sterimol/B1: 2.52118	Sterimol/B2: 3.45387	Sterimol/B3: 3.82805
Sterimol/B4: 5.79507	Sterimol/L: 14.7289

Surface and Volume Properties
Accessible surface: 468.931	Positive charged surface: 268.707	Negative charged surface: 200.224	Volume: 223.625
Hydrophobic surface: 394.823	Hydrophilic surface: 74.108

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.