MMsINC Database Search


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MMsINC code: MMs00500144

Type: Neutral
Formula: C₁₄H₁₇FN₂O₄

SMILES:

Fc1ccc(NC(=O)CN2C(O)(C)C(OC2=O)(C)C)cc1

InChI:

InChI=1/C14H17FN2O4/c1-13(2)14(3,20)17(12(19)21-13)8-11(18)16-10-6-4-9(15)5-7-10/h4-7,20H,8H2,1-3H3,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4865 kcal/mol

Physical Properties
Molecular Weight: 296.298 g/mol	logS: -3.00924	SlogP: 1.7035	Reactive groups: 0

Topological Properties
Globularity: 0.0968599	Sterimol/B1: 2.09252	Sterimol/B2: 3.4162	Sterimol/B3: 4.83267
Sterimol/B4: 5.7248	Sterimol/L: 15.1039

Surface and Volume Properties
Accessible surface: 502.704	Positive charged surface: 292.18	Negative charged surface: 210.524	Volume: 265.5
Hydrophobic surface: 334.31	Hydrophilic surface: 168.394

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.