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IBS-ZINC02412717

 MMsINC code: MMs01855756
Type: Ionized
Formula: C10H19N2O3-
SMILES:   O=C([O-])C(NC(=O)N(CCC)CCC)C
InChI:   InChI=1/C10H20N2O3/c1-4-6-12(7-5-2)10(15)11-8(3)9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=-2.01542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.273 g/mol  logS: -1.1398  SlogP: -0.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0956626  Sterimol/B1: 2.30481  Sterimol/B2: 2.85834  Sterimol/B3: 3.2823
  Sterimol/B4: 8.08055  Sterimol/L: 13.2641 
 
 Surface and Volume Properties
  Accessible surface: 456.711  Positive charged surface: 307.293  Negative charged surface: 149.418  Volume: 221.875
  Hydrophobic surface: 292.818  Hydrophilic surface: 163.893
 
 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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MMs01855755
IBS-ZINC02412717