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MMsINC code: MMs02814137

Type: Neutral
Formula: C₁₀H₁₅ClN₂O₅

SMILES:

Cl\C(=C\C(O)=O)\C(NC(=O)C(N)C(C)C)C(O)=O

InChI:

InChI=1/C10H15ClN2O5/c1-4(2)7(12)9(16)13-8(10(17)18)5(11)3-6(14)15/h3-4,7-8H,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/b5-3-/t7-,8-/m0/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6702 kcal/mol

Physical Properties
Molecular Weight: 278.692 g/mol	logS: -1.51355	SlogP: -0.1447	Reactive groups: 0

Topological Properties
Globularity: 0.149466	Sterimol/B1: 2.68069	Sterimol/B2: 3.90431	Sterimol/B3: 4.67485
Sterimol/B4: 5.16808	Sterimol/L: 14.1712

Surface and Volume Properties
Accessible surface: 472.396	Positive charged surface: 274.07	Negative charged surface: 198.327	Volume: 237.125
Hydrophobic surface: 189.507	Hydrophilic surface: 282.889

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02814138
PUBCHEM-ZINC01545062