MMsINC Database Search


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MMsINC code: MMs02713122

Type: Neutral
Formula: C₁₅H₁₄FN₃O₂

SMILES:

Fc1ccc(NC(=O)Nc2cc(NC(=O)C)ccc2)cc1

InChI:

InChI=1/C15H14FN3O2/c1-10(20)17-13-3-2-4-14(9-13)19-15(21)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,17,20)(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0989 kcal/mol

Physical Properties
Molecular Weight: 287.294 g/mol	logS: -3.75648	SlogP: 3.4281	Reactive groups: 0

Topological Properties
Globularity: 0.0476762	Sterimol/B1: 2.41263	Sterimol/B2: 3.21837	Sterimol/B3: 3.97959
Sterimol/B4: 6.60859	Sterimol/L: 17.2753

Surface and Volume Properties
Accessible surface: 526.845	Positive charged surface: 302.085	Negative charged surface: 224.759	Volume: 262.125
Hydrophobic surface: 413.619	Hydrophilic surface: 113.226

Pharmacophoric Properties
Hydrogen bond donors: 3	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.