MMsINC Database Search


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MMsINC code: MMs02663288

Type: Neutral
Formula: C₁₃H₁₀FNO₂

SMILES:

Fc1ccccc1C(=O)Nc1ccccc1O

InChI:

InChI=1/C13H10FNO2/c14-10-6-2-1-5-9(10)13(17)15-11-7-3-4-8-12(11)16/h1-8,16H,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2077 kcal/mol

Physical Properties
Molecular Weight: 231.226 g/mol	logS: -3.2879	SlogP: 2.7836	Reactive groups: 0

Topological Properties
Globularity: 0.0215158	Sterimol/B1: 2.16332	Sterimol/B2: 2.92587	Sterimol/B3: 2.97238
Sterimol/B4: 5.23921	Sterimol/L: 14.2254

Surface and Volume Properties
Accessible surface: 429.542	Positive charged surface: 229.168	Negative charged surface: 200.374	Volume: 209.625
Hydrophobic surface: 354.259	Hydrophilic surface: 75.283

Pharmacophoric Properties
Hydrogen bond donors: 2	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.