MMsINC Database Search


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MMsINC code: MMs01456311

Type: Neutral
Formula: C₁₉H₁₈FN₃O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C19H18FN3O3/c1-19(14-5-3-2-4-6-14)17(25)23(18(26)22-19)12-16(24)21-11-13-7-9-15(20)10-8-13/h2-10H,11-12H2,1H3,(H,21,24)(H,22,26)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.748 kcal/mol

Physical Properties
Molecular Weight: 355.369 g/mol	logS: -4.36505	SlogP: 2.487	Reactive groups: 0

Topological Properties
Globularity: 0.0537973	Sterimol/B1: 2.0735	Sterimol/B2: 3.21728	Sterimol/B3: 5.40992
Sterimol/B4: 5.67367	Sterimol/L: 19.1104

Surface and Volume Properties
Accessible surface: 606.943	Positive charged surface: 334.259	Negative charged surface: 272.684	Volume: 326.375
Hydrophobic surface: 460.104	Hydrophilic surface: 146.839

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.