MMsINC Database Search


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MMsINC code: MMs00842632

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1=CC(=O)Nc2c1cccc2

InChI:

InChI=1/C17H13FN2O2/c18-12-7-5-11(6-8-12)10-19-17(22)14-9-16(21)20-15-4-2-1-3-13(14)15/h1-9H,10H2,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2936 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -4.46023	SlogP: 2.744	Reactive groups: 0

Topological Properties
Globularity: 0.0477225	Sterimol/B1: 2.53033	Sterimol/B2: 3.65836	Sterimol/B3: 3.66308
Sterimol/B4: 7.36524	Sterimol/L: 16.5217

Surface and Volume Properties
Accessible surface: 522.321	Positive charged surface: 269.922	Negative charged surface: 252.399	Volume: 269
Hydrophobic surface: 410.169	Hydrophilic surface: 112.152

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.