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CHEMDIV-ZINC00259760

 MMsINC code: MMs00847190
Type: Ionized
Formula: C9H15N2O3-
SMILES:   O=C([O-])C1CCCN(C1)C(=O)N(C)C
InChI:   InChI=1/C9H16N2O3/c1-10(2)9(14)11-5-3-4-7(6-11)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-0.0946208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.23 g/mol  logS: 0.0425  SlogP: -0.8701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145708  Sterimol/B1: 2.28019  Sterimol/B2: 3.85676  Sterimol/B3: 4.16908
  Sterimol/B4: 5.2031  Sterimol/L: 11.2159 
 
 Surface and Volume Properties
  Accessible surface: 397.478  Positive charged surface: 297.876  Negative charged surface: 99.6013  Volume: 191.875
  Hydrophobic surface: 281.566  Hydrophilic surface: 115.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00847189
CHEMDIV-ZINC00259760