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NCID-ZINC01589640

 MMsINC code: MMs02244873
Type: Neutral
Formula: C10H20N2O2
SMILES:   O=C(N(C)C)CCCCCNC(=O)C
InChI:   InChI=1/C10H20N2O2/c1-9(13)11-8-6-4-5-7-10(14)12(2)3/h4-8H2,1-3H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=10.0877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.32428  SlogP: 0.7711  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0210878  Sterimol/B1: 2.51204  Sterimol/B2: 2.51327  Sterimol/B3: 3.18478
  Sterimol/B4: 3.7623  Sterimol/L: 16.9555 
 
 Surface and Volume Properties
  Accessible surface: 474.646  Positive charged surface: 385.353  Negative charged surface: 89.2924  Volume: 218.625
  Hydrophobic surface: 384.859  Hydrophilic surface: 89.787
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.