MMsINC Database Search


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MMsINC code: MMs01222698

Type: Neutral
Formula: C₁₅H₁₅FN₂O

SMILES:

Fc1ccc(NC(=O)c2cc(N(C)C)ccc2)cc1

InChI:

InChI=1/C15H15FN2O/c1-18(2)14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.391 kcal/mol

Physical Properties
Molecular Weight: 258.296 g/mol	logS: -3.57726	SlogP: 3.144	Reactive groups: 0

Topological Properties
Globularity: 0.0173676	Sterimol/B1: 2.58507	Sterimol/B2: 2.77259	Sterimol/B3: 3.97078
Sterimol/B4: 5.04018	Sterimol/L: 16.0615

Surface and Volume Properties
Accessible surface: 493.552	Positive charged surface: 310.646	Negative charged surface: 182.907	Volume: 251.75
Hydrophobic surface: 455.388	Hydrophilic surface: 38.164

Pharmacophoric Properties
Hydrogen bond donors: 1	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.