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PUBCHEM-ZINC05817453

 MMsINC code: MMs03396667
Type: Ionized
Formula: C10H17N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCC1)C(C)C
InChI:   InChI=1/C10H18N2O3/c1-7(2)8(9(13)14)11-10(15)12-5-3-4-6-12/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=7.67249 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.257 g/mol  logS: -1.03776  SlogP: -0.4337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121008  Sterimol/B1: 2.36478  Sterimol/B2: 3.77229  Sterimol/B3: 4.18703
  Sterimol/B4: 5.30933  Sterimol/L: 12.6184 
 
 Surface and Volume Properties
  Accessible surface: 429.908  Positive charged surface: 296.276  Negative charged surface: 133.632  Volume: 208.5
  Hydrophobic surface: 288.85  Hydrophilic surface: 141.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs03396666
PUBCHEM-ZINC05817453