MMsINC Database Search


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MMsINC code: MMs01053768

Type: Neutral
Formula: C₁₉H₁₉FN₂O

SMILES:

Fc1ccc(cc1)CNC(=O)c1cc2c(n(C)c(C)c2C)cc1

InChI:

InChI=1/C19H19FN2O/c1-12-13(2)22(3)18-9-6-15(10-17(12)18)19(23)21-11-14-4-7-16(20)8-5-14/h4-10H,11H2,1-3H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2067 kcal/mol

Physical Properties
Molecular Weight: 310.372 g/mol	logS: -4.25166	SlogP: 4.48984	Reactive groups: 0

Topological Properties
Globularity: 0.0353392	Sterimol/B1: 2.15991	Sterimol/B2: 3.6171	Sterimol/B3: 3.62177
Sterimol/B4: 7.0957	Sterimol/L: 17.5369

Surface and Volume Properties
Accessible surface: 581.802	Positive charged surface: 343.198	Negative charged surface: 232.799	Volume: 308.375
Hydrophobic surface: 528.083	Hydrophilic surface: 53.719

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.