MMsINC Database Search


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MMsINC code: MMs02792597

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1ccc(cc1)-c1ccc(cc1)CO

InChI:

InChI=1/C13H11FO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-8,15H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.3309 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.87726	SlogP: 3.2514	Reactive groups: 0

Topological Properties
Globularity: 0.0143407	Sterimol/B1: 2.12096	Sterimol/B2: 2.42779	Sterimol/B3: 3.03166
Sterimol/B4: 4.82721	Sterimol/L: 14.1666

Surface and Volume Properties
Accessible surface: 408.135	Positive charged surface: 208.979	Negative charged surface: 188.085	Volume: 198
Hydrophobic surface: 344.17	Hydrophilic surface: 63.965

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