MMsINC Database Search


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MMsINC code: MMs00783427

Type: Neutral
Formula: C₁₆H₁₃FN₂O

SMILES:

Fc1ccccc1C(=O)NCc1[nH]c2c(c1)cccc2

InChI:

InChI=1/C16H13FN2O/c17-14-7-3-2-6-13(14)16(20)18-10-12-9-11-5-1-4-8-15(11)19-12/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)=39.6967 kcal/mol

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

Topological Properties
Globularity: 0.064572	Sterimol/B1: 3.20915	Sterimol/B2: 3.66784	Sterimol/B3: 4.6335
Sterimol/B4: 5.06993	Sterimol/L: 16.0337

Surface and Volume Properties
Accessible surface: 510.812	Positive charged surface: 273.458	Negative charged surface: 231.511	Volume: 253.75
Hydrophobic surface: 438.749	Hydrophilic surface: 72.063

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.