MMsINC Database Search


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MMsINC code: MMs01689028

Type: Neutral
Formula: C₁₄H₁₂FNO₂

SMILES:

Fc1cc(NC(=O)c2ccc(cc2)CO)ccc1

InChI:

InChI=1/C14H12FNO2/c15-12-2-1-3-13(8-12)16-14(18)11-6-4-10(9-17)5-7-11/h1-8,17H,9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6262 kcal/mol

Physical Properties
Molecular Weight: 245.253 g/mol	logS: -3.42087	SlogP: 2.8367	Reactive groups: 0

Topological Properties
Globularity: 0.018169	Sterimol/B1: 2.20007	Sterimol/B2: 2.61447	Sterimol/B3: 3.24188
Sterimol/B4: 5.01317	Sterimol/L: 16.006

Surface and Volume Properties
Accessible surface: 462.487	Positive charged surface: 257.715	Negative charged surface: 204.772	Volume: 228.375
Hydrophobic surface: 363.034	Hydrophilic surface: 99.453

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.