MMsINC Database Search


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MMsINC code: MMs02672918

Type: Neutral
Formula: C₁₃H₁₉FN₂O

SMILES:

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

InChI:

InChI=1/C13H19FN2O/c1-9(2)16(10(3)4)13(17)15-12-7-5-11(14)6-8-12/h5-10H,1-4H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2606 kcal/mol

Physical Properties
Molecular Weight: 238.306 g/mol	logS: -2.92602	SlogP: 3.4764	Reactive groups: 0

Topological Properties
Globularity: 0.135179	Sterimol/B1: 2.36892	Sterimol/B2: 3.41628	Sterimol/B3: 5.22932
Sterimol/B4: 5.42563	Sterimol/L: 13.285

Surface and Volume Properties
Accessible surface: 460.453	Positive charged surface: 268.942	Negative charged surface: 191.511	Volume: 241.125
Hydrophobic surface: 363.65	Hydrophilic surface: 96.803

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.