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PUBCHEM-ZINC06656356

 MMsINC code: MMs03836083
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCCC)C(C)C
InChI:   InChI=1/C10H20N2O3/c1-4-5-6-11-10(15)12-8(7(2)3)9(13)14/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=-4.33838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -1.63557  SlogP: -0.1398  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0535626  Sterimol/B1: 2.4526  Sterimol/B2: 3.90397  Sterimol/B3: 4.02994
  Sterimol/B4: 4.60564  Sterimol/L: 15.1717 
 
 Surface and Volume Properties
  Accessible surface: 467.552  Positive charged surface: 318.156  Negative charged surface: 149.396  Volume: 219.25
  Hydrophobic surface: 282.561  Hydrophilic surface: 184.991
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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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MMs03836082
PUBCHEM-ZINC06656356