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CHEMDIV-ZINC03895672

 MMsINC code: MMs00917534
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NC1CCC(CC1)C)C1CCC(CC1)C
InChI:   InChI=1/C20H36N2O2/c1-13(2)18(20(24)21-17-11-7-15(4)8-12-17)22-19(23)16-9-5-14(3)6-10-16/h13-18H,5-12H2,1-4H3,(H,21,24)(H,22,23)/t14-,15-,16+,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -5.02253  SlogP: 3.6484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0876393  Sterimol/B1: 2.33946  Sterimol/B2: 3.66569  Sterimol/B3: 3.77225
  Sterimol/B4: 6.33864  Sterimol/L: 16.2138 
 
 Surface and Volume Properties
  Accessible surface: 600.72  Positive charged surface: 452.702  Negative charged surface: 148.019  Volume: 362.5
  Hydrophobic surface: 483.403  Hydrophilic surface: 117.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.