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PUBCHEM-ZINC06409561

 MMsINC code: MMs03713203
Type: Neutral
Formula: C17H27N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC(C)C2C)C(=O)NC12CCCC2
InChI:   InChI=1/C17H27N3O3/c1-11-6-5-7-13(12(11)2)18-14(21)10-20-15(22)17(19-16(20)23)8-3-4-9-17/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,23)/t11-,12-,13-/m1/s1

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Potential Energy
Epot(MMFF94)=37.182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.421 g/mol  logS: -3.35111  SlogP: 1.7919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705465  Sterimol/B1: 1.97388  Sterimol/B2: 4.36699  Sterimol/B3: 4.66692
  Sterimol/B4: 5.32511  Sterimol/L: 16.2928 
 
 Surface and Volume Properties
  Accessible surface: 573.893  Positive charged surface: 408.934  Negative charged surface: 164.959  Volume: 317
  Hydrophobic surface: 413.08  Hydrophilic surface: 160.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.