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CHEMDIV-ZINC03895739

 MMsINC code: MMs00917574
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NC1CCCC(C)C1C)C1CCCCC1
InChI:   InChI=1/C20H36N2O2/c1-13(2)18(22-19(23)16-10-6-5-7-11-16)20(24)21-17-12-8-9-14(3)15(17)4/h13-18H,5-12H2,1-4H3,(H,21,24)(H,22,23)/t14-,15+,17+,18+/m0/s1

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Potential Energy
Epot(MMFF94)=56.4384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -4.70908  SlogP: 3.6484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394086  Sterimol/B1: 2.92551  Sterimol/B2: 3.61489  Sterimol/B3: 5.08829
  Sterimol/B4: 6.06404  Sterimol/L: 17.9376 
 
 Surface and Volume Properties
  Accessible surface: 626.202  Positive charged surface: 479.538  Negative charged surface: 146.664  Volume: 364.375
  Hydrophobic surface: 512.068  Hydrophilic surface: 114.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.