MMsINC Database Search


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MMsINC code: MMs00743201

Type: Neutral
Formula: C₁₁H₁₃FN₂O₄

SMILES:

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

InChI:

InChI=1/C11H13FN2O4/c1-17-10(15)13-9(14-11(16)18-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-23.4369 kcal/mol

Physical Properties
Molecular Weight: 256.233 g/mol	logS: -2.03293	SlogP: 1.6318	Reactive groups: 0

Topological Properties
Globularity: 0.0507108	Sterimol/B1: 2.34556	Sterimol/B2: 2.70979	Sterimol/B3: 2.79239
Sterimol/B4: 9.84974	Sterimol/L: 12.494

Surface and Volume Properties
Accessible surface: 480.248	Positive charged surface: 320.621	Negative charged surface: 159.628	Volume: 227.75
Hydrophobic surface: 374.848	Hydrophilic surface: 105.4

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