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ACROSORGANICS-ZINC03581377

 MMsINC code: MMs00015013
Type: Neutral
Formula: C6H14N2O
SMILES:   O=C(N)C(N)CC(C)C
InChI:   InChI=1/C6H14N2O/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H2,8,9)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=24.0207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.191 g/mol  logS: -1.11988  SlogP: -0.1549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.249139  Sterimol/B1: 2.28883  Sterimol/B2: 3.39792  Sterimol/B3: 3.67146
  Sterimol/B4: 4.3504  Sterimol/L: 9.94766 
 
 Surface and Volume Properties
  Accessible surface: 329.495  Positive charged surface: 237.842  Negative charged surface: 91.6526  Volume: 142.625
  Hydrophobic surface: 136.662  Hydrophilic surface: 192.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00015014
ACROSORGANICS-ZINC03581377