MMsINC Database Search


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MMsINC code: MMs00617149

Type: Neutral
Formula: C₁₆H₁₅FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(NC(=O)CC)ccc1

InChI:

InChI=1/C16H15FN2O2/c1-2-15(20)18-13-4-3-5-14(10-13)19-16(21)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2259 kcal/mol

Physical Properties
Molecular Weight: 286.306 g/mol	logS: -4.06107	SlogP: 3.4265	Reactive groups: 0

Topological Properties
Globularity: 0.0191686	Sterimol/B1: 2.16259	Sterimol/B2: 2.57325	Sterimol/B3: 3.16845
Sterimol/B4: 8.37659	Sterimol/L: 15.9974

Surface and Volume Properties
Accessible surface: 532.732	Positive charged surface: 305.618	Negative charged surface: 227.115	Volume: 267.75
Hydrophobic surface: 432.064	Hydrophilic surface: 100.668

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.