MMsINC Database Search


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MMsINC code: MMs01290056

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H11F2NO/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(16)8-4-11/h1-8H,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.349 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -3.88887	SlogP: 3.1612	Reactive groups: 0

Topological Properties
Globularity: 0.0725639	Sterimol/B1: 2.42143	Sterimol/B2: 3.97229	Sterimol/B3: 4.56677
Sterimol/B4: 4.81821	Sterimol/L: 14.5766

Surface and Volume Properties
Accessible surface: 462.352	Positive charged surface: 227.421	Negative charged surface: 234.931	Volume: 227.75
Hydrophobic surface: 415.745	Hydrophilic surface: 46.607

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.