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BACHEM-ZINC02560833

 MMsINC code: MMs00483946
Type: Neutral
Formula: C9H18N2O2
SMILES:   O=C(NC)C(NC(=O)C)C(CC)C
InChI:   InChI=1/C9H18N2O2/c1-5-6(2)8(9(13)10-4)11-7(3)12/h6,8H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=27.1003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.255 g/mol  logS: -1.18901  SlogP: 0.2832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247658  Sterimol/B1: 2.26255  Sterimol/B2: 2.51029  Sterimol/B3: 4.75704
  Sterimol/B4: 7.9744  Sterimol/L: 10.8289 
 
 Surface and Volume Properties
  Accessible surface: 419.157  Positive charged surface: 299.474  Negative charged surface: 119.683  Volume: 196.625
  Hydrophobic surface: 302.215  Hydrophilic surface: 116.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.