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MMsINC code: MMs02504866

Type: Neutral
Formula: C₁₁H₁₅FN₂O₅

SMILES:

FC1CC(OC1CO)N1C=C(COC)C(=O)NC1=O

InChI:

InChI=1/C11H15FN2O5/c1-18-5-6-3-14(11(17)13-10(6)16)9-2-7(12)8(4-15)19-9/h3,7-9,15H,2,4-5H2,1H3,(H,13,16,17)/t7-,8-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1355 kcal/mol

Physical Properties
Molecular Weight: 274.248 g/mol	logS: -0.95442	SlogP: -0.0662	Reactive groups: 0

Topological Properties
Globularity: 0.0965276	Sterimol/B1: 2.57293	Sterimol/B2: 3.67169	Sterimol/B3: 4.11262
Sterimol/B4: 6.51126	Sterimol/L: 14.072

Surface and Volume Properties
Accessible surface: 471.513	Positive charged surface: 341.632	Negative charged surface: 129.881	Volume: 232.875
Hydrophobic surface: 272.648	Hydrophilic surface: 198.865

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.