MMsINC Database Search


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MMsINC code: MMs00486065

Type: Neutral
Formula: C₁₃H₁₀FNO₂

SMILES:

Fc1ccccc1NC(=O)c1cc(O)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2353 kcal/mol

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

Topological Properties
Globularity: 0.0103943	Sterimol/B1: 2.097	Sterimol/B2: 2.49136	Sterimol/B3: 2.79394
Sterimol/B4: 5.41773	Sterimol/L: 14.1746

Surface and Volume Properties
Accessible surface: 432.063	Positive charged surface: 226.133	Negative charged surface: 205.93	Volume: 210
Hydrophobic surface: 346.159	Hydrophilic surface: 85.904

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.