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PUBCHEM-ZINC05911836

 MMsINC code: MMs03441302
Type: Ionized
Formula: C9H15N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1)C
InChI:   InChI=1/C9H16N2O3/c1-7(8(12)13)10-9(14)11-5-3-2-4-6-11/h7H,2-6H2,1H3,(H,10,14)(H,12,13)/p-1/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=1.11011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.23 g/mol  logS: -0.83599  SlogP: -0.6797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114355  Sterimol/B1: 2.2647  Sterimol/B2: 2.97283  Sterimol/B3: 4.37039
  Sterimol/B4: 4.71238  Sterimol/L: 12.4556 
 
 Surface and Volume Properties
  Accessible surface: 407.392  Positive charged surface: 279.803  Negative charged surface: 127.589  Volume: 189.875
  Hydrophobic surface: 271.713  Hydrophilic surface: 135.679
 
 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:


MMs03441301
PUBCHEM-ZINC05911836