MMsINC Database Search


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MMsINC code: MMs00116211

Type: Neutral
Formula: C₁₄H₁₁F₂NO

SMILES:

Fc1cc(NC(=O)c2ccc(cc2)C)ccc1F

InChI:

InChI=1/C14H11F2NO/c1-9-2-4-10(5-3-9)14(18)17-11-6-7-12(15)13(16)8-11/h2-8H,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.5014 kcal/mol

Physical Properties
Molecular Weight: 247.244 g/mol	logS: -4.41875	SlogP: 3.52552	Reactive groups: 0

Topological Properties
Globularity: 0.0168393	Sterimol/B1: 2.49545	Sterimol/B2: 2.67064	Sterimol/B3: 3.4827
Sterimol/B4: 4.08296	Sterimol/L: 15.4675

Surface and Volume Properties
Accessible surface: 462.638	Positive charged surface: 229.326	Negative charged surface: 233.312	Volume: 223.125
Hydrophobic surface: 424.636	Hydrophilic surface: 38.002

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.