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MMsINC code: MMs02494660

Type: Neutral
Formula: C₁₀H₁₅FN₂O₆

SMILES:

FC1C(OC)N(C2OC(CO)C(O)C2)C(=O)NC1=O

InChI:

InChI=1/C10H15FN2O6/c1-18-9-7(11)8(16)12-10(17)13(9)6-2-4(15)5(3-14)19-6/h4-7,9,14-15H,2-3H2,1H3,(H,12,16,17)/t4-,5-,6-,7-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.4331 kcal/mol

Physical Properties
Molecular Weight: 278.236 g/mol	logS: -0.35045	SlogP: -1.2631	Reactive groups: 0

Topological Properties
Globularity: 0.19021	Sterimol/B1: 2.55951	Sterimol/B2: 2.59873	Sterimol/B3: 5.14849
Sterimol/B4: 5.57447	Sterimol/L: 12.5119

Surface and Volume Properties
Accessible surface: 439.23	Positive charged surface: 303.612	Negative charged surface: 135.618	Volume: 225.5
Hydrophobic surface: 189.274	Hydrophilic surface: 249.956

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.