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NCID-ZINC01733420

 MMsINC code: MMs02355905
Type: Neutral
Formula: C11H19N3O
SMILES:   O=C(N(CCC#N)C1CCCCC1)NC
InChI:   InChI=1/C11H19N3O/c1-13-11(15)14(9-5-8-12)10-6-3-2-4-7-10/h10H,2-7,9H2,1H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=-1.15285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.293 g/mol  logS: -1.22877  SlogP: 1.87418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176829  Sterimol/B1: 2.21558  Sterimol/B2: 3.35103  Sterimol/B3: 3.99023
  Sterimol/B4: 8.49161  Sterimol/L: 11.746 
 
 Surface and Volume Properties
  Accessible surface: 439.433  Positive charged surface: 343.846  Negative charged surface: 95.5867  Volume: 219.5
  Hydrophobic surface: 335.1  Hydrophilic surface: 104.333
 
 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.