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MMsINC code: MMs03329480

Type: Neutral
Formula: C₁₁H₁₇N₃O₆

SMILES:

OC(=O)C(NC(=O)CNC(=O)\C=C(/O)\C)CCC(=O)N

InChI:

InChI=1/C11H17N3O6/c1-6(15)4-9(17)13-5-10(18)14-7(11(19)20)2-3-8(12)16/h4,7,15H,2-3,5H2,1H3,(H2,12,16)(H,13,17)(H,14,18)(H,19,20)/b6-4-/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9512 kcal/mol

Physical Properties
Molecular Weight: 287.272 g/mol	logS: -0.48103	SlogP: -1.6007	Reactive groups: 0

Topological Properties
Globularity: 0.0412376	Sterimol/B1: 2.37818	Sterimol/B2: 3.75085	Sterimol/B3: 4.68478
Sterimol/B4: 5.83815	Sterimol/L: 16.858

Surface and Volume Properties
Accessible surface: 536.738	Positive charged surface: 338.333	Negative charged surface: 198.405	Volume: 252.5
Hydrophobic surface: 218.571	Hydrophilic surface: 318.167

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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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