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NCID-ZINC01650371

 MMsINC code: MMs02290079
Type: Neutral
Formula: C11H23N3O2
SMILES:   O=C(NCCCCNCCCNC(=O)C)C
InChI:   InChI=1/C11H23N3O2/c1-10(15)13-8-4-3-6-12-7-5-9-14-11(2)16/h12H,3-9H2,1-2H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=-5.59899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.324 g/mol  logS: -0.32265  SlogP: 0.0185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0142892  Sterimol/B1: 2.40581  Sterimol/B2: 2.56185  Sterimol/B3: 3.01241
  Sterimol/B4: 3.75995  Sterimol/L: 20.6213 
 
 Surface and Volume Properties
  Accessible surface: 535.942  Positive charged surface: 408.292  Negative charged surface: 127.65  Volume: 246.875
  Hydrophobic surface: 405.804  Hydrophilic surface: 130.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02290080
NCID-ZINC01650371