MMsINC Database Search


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MMsINC code: MMs00118347

Type: Neutral
Formula: C₁₃H₁₀FNO₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.7094 kcal/mol

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

Topological Properties
Globularity: 0.0140682	Sterimol/B1: 2.28361	Sterimol/B2: 2.71193	Sterimol/B3: 2.80331
Sterimol/B4: 5.02402	Sterimol/L: 14.8504

Surface and Volume Properties
Accessible surface: 432.959	Positive charged surface: 220.981	Negative charged surface: 211.978	Volume: 209.75
Hydrophobic surface: 348.366	Hydrophilic surface: 84.593

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.