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IBS-ZINC00534678

 MMsINC code: MMs01749001
Type: Ionized
Formula: C10H17N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1C)C
InChI:   InChI=1/C10H18N2O3/c1-7-5-3-4-6-12(7)10(15)11-8(2)9(13)14/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)/p-1/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=11.8792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.257 g/mol  logS: -1.1632  SlogP: -0.2912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107984  Sterimol/B1: 2.07533  Sterimol/B2: 3.01483  Sterimol/B3: 3.57648
  Sterimol/B4: 6.86344  Sterimol/L: 12.0667 
 
 Surface and Volume Properties
  Accessible surface: 417.997  Positive charged surface: 289.322  Negative charged surface: 128.675  Volume: 208.625
  Hydrophobic surface: 280.385  Hydrophilic surface: 137.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs01749000
IBS-ZINC00534678