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MMsINC code: MMs02207695

Type: Neutral
Formula: C₁₅H₁₉F₂NO₅

SMILES:

FC(F)Oc1ccc(cc1)CC(NC(OC(C)(C)C)=O)C(O)=O

InChI:

InChI=1/C15H19F2NO5/c1-15(2,3)23-14(21)18-11(12(19)20)8-9-4-6-10(7-5-9)22-13(16)17/h4-7,11,13H,8H2,1-3H3,(H,18,21)(H,19,20)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2091 kcal/mol

Physical Properties
Molecular Weight: 331.315 g/mol	logS: -2.78102	SlogP: 3.22827	Reactive groups: 0

Topological Properties
Globularity: 0.117417	Sterimol/B1: 2.6967	Sterimol/B2: 4.49913	Sterimol/B3: 4.60669
Sterimol/B4: 6.91874	Sterimol/L: 14.3706

Surface and Volume Properties
Accessible surface: 569.883	Positive charged surface: 328.787	Negative charged surface: 241.096	Volume: 292.625
Hydrophobic surface: 313.339	Hydrophilic surface: 256.544

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02207696
NANOSIN-ZINC04510474