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PUBCHEM-ZINC03614212

 MMsINC code: MMs03022628
Type: Neutral
Formula: C11H23N3O2
SMILES:   O(CC)C(=O)N1CCN(CC1)CCN(C)C
InChI:   InChI=1/C11H23N3O2/c1-4-16-11(15)14-9-7-13(8-10-14)6-5-12(2)3/h4-10H2,1-3H3

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Potential Energy
Epot(MMFF94)=39.7832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.324 g/mol  logS: -0.00577  SlogP: 0.3221  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.038657  Sterimol/B1: 2.58049  Sterimol/B2: 2.74455  Sterimol/B3: 3.60708
  Sterimol/B4: 6.00177  Sterimol/L: 16.0118 
 
 Surface and Volume Properties
  Accessible surface: 496.178  Positive charged surface: 444.971  Negative charged surface: 51.2064  Volume: 242.625
  Hydrophobic surface: 433.828  Hydrophilic surface: 62.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs03022629
PUBCHEM-ZINC03614212