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MMsINC code: MMs03329575

Type: Neutral
Formula: C₁₀H₁₇N₃O₅

SMILES:

OC(=O)C(NC(=O)CC(=O)C)CCCNC(=O)N

InChI:

InChI=1/C10H17N3O5/c1-6(14)5-8(15)13-7(9(16)17)3-2-4-12-10(11)18/h7H,2-5H2,1H3,(H,13,15)(H,16,17)(H3,11,12,18)/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=1.23132 kcal/mol

Physical Properties
Molecular Weight: 259.262 g/mol	logS: -0.5029	SlogP: -1.0166	Reactive groups: 1

Topological Properties
Globularity: 0.0461168	Sterimol/B1: 2.43166	Sterimol/B2: 2.85148	Sterimol/B3: 3.26301
Sterimol/B4: 8.61476	Sterimol/L: 15.3239

Surface and Volume Properties
Accessible surface: 504.804	Positive charged surface: 341.057	Negative charged surface: 163.746	Volume: 234.875
Hydrophobic surface: 218.4	Hydrophilic surface: 286.404

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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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