MMsINC Database Search


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MMsINC code: MMs03514183

Type: Neutral
Formula: C₁₇H₂₃FN₂O₅

SMILES:

Fc1ccc(NC(=O)COCC(=O)NC(CC(C)C)C(OC)=O)cc1

InChI:

InChI=1/C17H23FN2O5/c1-11(2)8-14(17(23)24-3)20-16(22)10-25-9-15(21)19-13-6-4-12(18)5-7-13/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3537 kcal/mol

Physical Properties
Molecular Weight: 354.378 g/mol	logS: -4.16475	SlogP: 1.4847	Reactive groups: 0

Topological Properties
Globularity: 0.0506211	Sterimol/B1: 2.50145	Sterimol/B2: 3.73253	Sterimol/B3: 3.84839
Sterimol/B4: 8.67145	Sterimol/L: 19.0558

Surface and Volume Properties
Accessible surface: 660.804	Positive charged surface: 441.25	Negative charged surface: 219.554	Volume: 332.125
Hydrophobic surface: 496.056	Hydrophilic surface: 164.748

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.