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IBS-ZINC02430845

 MMsINC code: MMs01861704
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCC)C(CC)C
InChI:   InChI=1/C10H20N2O3/c1-4-6-11-10(15)12-8(9(13)14)7(3)5-2/h7-8H,4-6H2,1-3H3,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=-5.45736 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: 0.0940303  Sterimol/B1: 3.37584  Sterimol/B2: 3.51036  Sterimol/B3: 4.11698
  Sterimol/B4: 5.82199  Sterimol/L: 13.636 
 
 Surface and Volume Properties
  Accessible surface: 461.249  Positive charged surface: 310.884  Negative charged surface: 150.365  Volume: 220
  Hydrophobic surface: 273.897  Hydrophilic surface: 187.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs01861703
IBS-ZINC02430845