MMsINC Database Search


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MMsINC code: MMs03801782

Type: Neutral
Formula: C₁₃H₁₀FNO₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2O)cc1

InChI:

InChI=1/C13H10FNO2/c14-9-5-7-10(8-6-9)15-13(17)11-3-1-2-4-12(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)=67.6822 kcal/mol

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

Topological Properties
Globularity: 0.0252922	Sterimol/B1: 2.34168	Sterimol/B2: 2.49039	Sterimol/B3: 3.03446
Sterimol/B4: 5.63271	Sterimol/L: 14.4906

Surface and Volume Properties
Accessible surface: 430.098	Positive charged surface: 227.551	Negative charged surface: 202.547	Volume: 212.125
Hydrophobic surface: 357.735	Hydrophilic surface: 72.363

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.