MMsINC Database Search


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MMsINC code: MMs00990722

Type: Neutral
Formula: C₂₀H₁₉FN₂O

SMILES:

Fc1cc(ccc1)CNC(=O)c1cc(n(C)c1C)-c1ccccc1

InChI:

InChI=1/C20H19FN2O/c1-14-18(12-19(23(14)2)16-8-4-3-5-9-16)20(24)22-13-15-7-6-10-17(21)11-15/h3-12H,13H2,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7583 kcal/mol

Physical Properties
Molecular Weight: 322.383 g/mol	logS: -4.63969	SlogP: 4.69522	Reactive groups: 0

Topological Properties
Globularity: 0.0492307	Sterimol/B1: 1.969	Sterimol/B2: 3.60444	Sterimol/B3: 3.87175
Sterimol/B4: 9.60624	Sterimol/L: 15.9085

Surface and Volume Properties
Accessible surface: 593.691	Positive charged surface: 337.044	Negative charged surface: 256.646	Volume: 319.625
Hydrophobic surface: 540.152	Hydrophilic surface: 53.539

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.