MMsINC Database Search


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MMsINC code: MMs00612123

Type: Neutral
Formula: C₁₅H₁₃FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H13FN2O2/c1-10(19)17-13-5-7-14(8-6-13)18-15(20)11-3-2-4-12(16)9-11/h2-9H,1H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8325 kcal/mol

Physical Properties
Molecular Weight: 272.279 g/mol	logS: -3.8593	SlogP: 3.0364	Reactive groups: 0

Topological Properties
Globularity: 0.0156415	Sterimol/B1: 2.65534	Sterimol/B2: 2.84116	Sterimol/B3: 3.30228
Sterimol/B4: 4.59499	Sterimol/L: 17.2923

Surface and Volume Properties
Accessible surface: 496.081	Positive charged surface: 268.282	Negative charged surface: 227.799	Volume: 250
Hydrophobic surface: 408.797	Hydrophilic surface: 87.284

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.