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NCID-ZINC01665415

 MMsINC code: MMs02301565
Type: Neutral
Formula: C10H20N2O2
SMILES:   OCC(NC(=O)C1CCCNC1)CC
InChI:   InChI=1/C10H20N2O2/c1-2-9(7-13)12-10(14)8-4-3-5-11-6-8/h8-9,11,13H,2-7H2,1H3,(H,12,14)/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=21.1165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.16535  SlogP: -0.1269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12837  Sterimol/B1: 2.15703  Sterimol/B2: 2.69463  Sterimol/B3: 4.15658
  Sterimol/B4: 6.02824  Sterimol/L: 12.3522 
 
 Surface and Volume Properties
  Accessible surface: 419.347  Positive charged surface: 349.011  Negative charged surface: 70.3361  Volume: 206.5
  Hydrophobic surface: 302.351  Hydrophilic surface: 116.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02301566
NCID-ZINC01665415