MMsINC Database Search


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MMsINC code: MMs02646310

Type: Neutral
Formula: C₁₆H₁₅FN₂O₂

SMILES:

Fc1ccccc1NC(=O)CNC(=O)c1ccccc1C

InChI:

InChI=1/C16H15FN2O2/c1-11-6-2-3-7-12(11)16(21)18-10-15(20)19-14-9-5-4-8-13(14)17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.4678 kcal/mol

Physical Properties
Molecular Weight: 286.306 g/mol	logS: -4.29634	SlogP: 2.50262	Reactive groups: 0

Topological Properties
Globularity: 0.0110341	Sterimol/B1: 2.012	Sterimol/B2: 2.27782	Sterimol/B3: 2.78367
Sterimol/B4: 6.71057	Sterimol/L: 16.8564

Surface and Volume Properties
Accessible surface: 525.426	Positive charged surface: 298.213	Negative charged surface: 227.213	Volume: 268.125
Hydrophobic surface: 449.3	Hydrophilic surface: 76.126

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.