MMsINC Database Search


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MMsINC code: MMs01935671

Type: Neutral
Formula: C₁₆H₁₃FN₂O

SMILES:

Fc1cc2cc([nH]c2cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C16H13FN2O/c17-13-6-7-14-12(8-13)9-15(19-14)16(20)18-10-11-4-2-1-3-5-11/h1-9,19H,10H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1363 kcal/mol

Physical Properties
Molecular Weight: 268.291 g/mol	logS: -4.03671	SlogP: 3.5034	Reactive groups: 0

Topological Properties
Globularity: 0.0487109	Sterimol/B1: 2.90262	Sterimol/B2: 3.61718	Sterimol/B3: 3.61823
Sterimol/B4: 5.96099	Sterimol/L: 16.2893

Surface and Volume Properties
Accessible surface: 511.136	Positive charged surface: 259.484	Negative charged surface: 245.394	Volume: 254.25
Hydrophobic surface: 436.764	Hydrophilic surface: 74.372

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.