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PUBCHEM-ZINC05905949

 MMsINC code: MMs03438431
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(NCCNC(=O)C(C)C)C(C)C
InChI:   InChI=1/C10H20N2O2/c1-7(2)9(13)11-5-6-12-10(14)8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=14.2071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.75748  SlogP: 0.5308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304856  Sterimol/B1: 2.60342  Sterimol/B2: 2.93018  Sterimol/B3: 3.0384
  Sterimol/B4: 4.46103  Sterimol/L: 15.7733 
 
 Surface and Volume Properties
  Accessible surface: 463.186  Positive charged surface: 337.074  Negative charged surface: 126.111  Volume: 214.875
  Hydrophobic surface: 305.454  Hydrophilic surface: 157.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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: 1
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Ions/Tautomers related molecules: no related molecules available.