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CHEMDIV-ZINC04711938

 MMsINC code: MMs00943354
Type: Neutral
Formula: C20H35N3O2
SMILES:   O=C1N(CC(C1)C(=O)NCCCN1CCCCC1)C1CCCCCC1
InChI:   InChI=1/C20H35N3O2/c24-19-15-17(16-23(19)18-9-4-1-2-5-10-18)20(25)21-11-8-14-22-12-6-3-7-13-22/h17-18H,1-16H2,(H,21,25)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=30.5248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.519 g/mol  logS: -2.4571  SlogP: 2.5499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469205  Sterimol/B1: 3.6318  Sterimol/B2: 3.69252  Sterimol/B3: 4.02452
  Sterimol/B4: 5.80328  Sterimol/L: 20.3975 
 
 Surface and Volume Properties
  Accessible surface: 660.106  Positive charged surface: 537.093  Negative charged surface: 123.012  Volume: 368.125
  Hydrophobic surface: 595.243  Hydrophilic surface: 64.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00943355
CHEMDIV-ZINC04711938