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NCID-ZINC01683775

 MMsINC code: MMs02317335
Type: Ionized
Formula: C6H10ClN2O3-
SMILES:   ClCCNC(=O)NC(C(=O)[O-])C
InChI:   InChI=1/C6H11ClN2O3/c1-4(5(10)11)9-6(12)8-3-2-7/h4H,2-3H2,1H3,(H,10,11)(H2,8,9,12)/p-1/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-8.00719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.61 g/mol  logS: -0.95311  SlogP: -1.3372  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0753463  Sterimol/B1: 2.19756  Sterimol/B2: 2.66816  Sterimol/B3: 3.3065
  Sterimol/B4: 5.07144  Sterimol/L: 13.3552 
 
 Surface and Volume Properties
  Accessible surface: 382.835  Positive charged surface: 203.876  Negative charged surface: 178.959  Volume: 165.75
  Hydrophobic surface: 147.038  Hydrophilic surface: 235.797
 
 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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MMs02317334
NCID-ZINC01683775