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PUBCHEM-ZINC02046813

 MMsINC code: MMs02865136
Type: Neutral
Formula: C11H21N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(C(=O)N)C)C
InChI:   InChI=1/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=38.5443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.306 g/mol  logS: -1.92711  SlogP: -0.1104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698385  Sterimol/B1: 2.28613  Sterimol/B2: 3.62216  Sterimol/B3: 4.1164
  Sterimol/B4: 5.1025  Sterimol/L: 16.122 
 
 Surface and Volume Properties
  Accessible surface: 513.023  Positive charged surface: 345.064  Negative charged surface: 167.959  Volume: 251.375
  Hydrophobic surface: 245.745  Hydrophilic surface: 267.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.