MMsINC Database Search


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MMsINC code: MMs01419707

Type: Neutral
Formula: C₁₉H₂₀FN₃O₄

SMILES:

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

InChI:

InChI=1/C19H20FN3O4/c1-23(2)16-5-3-4-13(10-16)19(26)27-12-18(25)21-11-17(24)22-15-8-6-14(20)7-9-15/h3-10H,11-12H2,1-2H3,(H,21,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.542 kcal/mol

Physical Properties
Molecular Weight: 373.384 g/mol	logS: -4.158	SlogP: 1.8034	Reactive groups: 0

Topological Properties
Globularity: 0.00688778	Sterimol/B1: 2.72294	Sterimol/B2: 2.73246	Sterimol/B3: 4.18304
Sterimol/B4: 4.77556	Sterimol/L: 23.1402

Surface and Volume Properties
Accessible surface: 669.125	Positive charged surface: 434.251	Negative charged surface: 234.874	Volume: 345.875
Hydrophobic surface: 533.773	Hydrophilic surface: 135.352

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.