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IBS-ZINC00487707

 MMsINC code: MMs01737191
Type: Neutral
Formula: C6H12N2O2
SMILES:   OC1N(C)C(=O)NC(C1)C
InChI:   InChI=1/C6H12N2O2/c1-4-3-5(9)8(2)6(10)7-4/h4-5,9H,3H2,1-2H3,(H,7,10)/t4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-23.2619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.174 g/mol  logS: 0.14565  SlogP: -0.2616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989897  Sterimol/B1: 2.60608  Sterimol/B2: 3.169  Sterimol/B3: 3.7512
  Sterimol/B4: 4.23854  Sterimol/L: 9.67975 
 
 Surface and Volume Properties
  Accessible surface: 321.762  Positive charged surface: 247.341  Negative charged surface: 74.4215  Volume: 139.25
  Hydrophobic surface: 195.58  Hydrophilic surface: 126.182
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.