MMsINC Database Search


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MMsINC code: MMs00770935

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O

SMILES:

Fc1ccccc1NC(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H12F2N2O/c15-11-7-5-10(6-8-11)9-17-14(19)18-13-4-2-1-3-12(13)16/h1-8H,9H2,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.6323 kcal/mol

Physical Properties
Molecular Weight: 262.259 g/mol	logS: -3.78605	SlogP: 3.5529	Reactive groups: 0

Topological Properties
Globularity: 0.0464651	Sterimol/B1: 2.49378	Sterimol/B2: 3.28592	Sterimol/B3: 3.65287
Sterimol/B4: 5.34388	Sterimol/L: 16.4944

Surface and Volume Properties
Accessible surface: 485.196	Positive charged surface: 262.079	Negative charged surface: 223.118	Volume: 236.125
Hydrophobic surface: 417.909	Hydrophilic surface: 67.287

Pharmacophoric Properties
Hydrogen bond donors: 2	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.