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ACROSORGANICS-ZINC00155113

 MMsINC code: MMs00005041
Type: Neutral
Formula: C10H20N2O
SMILES:   O=C(N(CC)CC)C1CCCNC1
InChI:   InChI=1/C10H20N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h9,11H,3-8H2,1-2H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=18.0293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.283 g/mol  logS: -0.38734  SlogP: 0.8544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111773  Sterimol/B1: 2.31539  Sterimol/B2: 2.9013  Sterimol/B3: 3.40383
  Sterimol/B4: 6.23085  Sterimol/L: 12.0501 
 
 Surface and Volume Properties
  Accessible surface: 406.043  Positive charged surface: 320.381  Negative charged surface: 85.6624  Volume: 200.75
  Hydrophobic surface: 309.038  Hydrophilic surface: 97.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00005042
ACROSORGANICS-ZINC00155113