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PUBCHEM-ZINC05965505

 MMsINC code: MMs03465666
Type: Neutral
Formula: C10H19N3O5
SMILES:   O(C(=O)CCCCCN(N=O)C)CC(N)C(O)=O
InChI:   InChI=1/C10H19N3O5/c1-13(12-17)6-4-2-3-5-9(14)18-7-8(11)10(15)16/h8H,2-7,11H2,1H3,(H,15,16)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=44.7819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.278 g/mol  logS: -0.37343  SlogP: 0.1151  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0366747  Sterimol/B1: 2.24902  Sterimol/B2: 3.57251  Sterimol/B3: 3.57526
  Sterimol/B4: 4.3754  Sterimol/L: 18.0023 
 
 Surface and Volume Properties
  Accessible surface: 526.285  Positive charged surface: 365.327  Negative charged surface: 160.958  Volume: 242.75
  Hydrophobic surface: 342.336  Hydrophilic surface: 183.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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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Ions/Tautomers related molecules: no related molecules available.