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ACROSORGANICS-ZINC01683095

 MMsINC code: MMs00010818
Type: Ionized
Formula: C10H17N2O7-
SMILES:   OCC[NH+](CC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
InChI:   InChI=1/C10H18N2O7/c13-4-3-11(5-8(14)15)1-2-12(6-9(16)17)7-10(18)19/h13H,1-7H2,(H,14,15)(H,16,17)(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=59.9728 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.253 g/mol  logS: 0.09613  SlogP: -9.0018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113479  Sterimol/B1: 2.98382  Sterimol/B2: 3.58455  Sterimol/B3: 3.84721
  Sterimol/B4: 6.16628  Sterimol/L: 12.8393 
 
 Surface and Volume Properties
  Accessible surface: 461.193  Positive charged surface: 272.232  Negative charged surface: 188.96  Volume: 241.5
  Hydrophobic surface: 181.931  Hydrophilic surface: 279.262
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 6  Basic groups: 2
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs00010817
ACROSORGANICS-ZINC01683095