MMsINC Database Search


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MMsINC code: MMs00121968

Type: Neutral
Formula: C₁₄H₁₂FNO

SMILES:

Fc1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C14H12FNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4553 kcal/mol

Physical Properties
Molecular Weight: 229.254 g/mol	logS: -3.59389	SlogP: 3.0221	Reactive groups: 0

Topological Properties
Globularity: 0.0729858	Sterimol/B1: 3.32678	Sterimol/B2: 3.61715	Sterimol/B3: 3.6188
Sterimol/B4: 5.20362	Sterimol/L: 14.345

Surface and Volume Properties
Accessible surface: 458.322	Positive charged surface: 236.733	Negative charged surface: 221.59	Volume: 222.875
Hydrophobic surface: 411.792	Hydrophilic surface: 46.53

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.