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CHEMDIV-ZINC00248227

 MMsINC code: MMs00845976
Type: Neutral
Formula: C20H36N2O2
SMILES:   O=C(NC(CC(C)C)C(=O)NC1CCC(CC1)C)C1CCCCC1
InChI:   InChI=1/C20H36N2O2/c1-14(2)13-18(22-19(23)16-7-5-4-6-8-16)20(24)21-17-11-9-15(3)10-12-17/h14-18H,4-13H2,1-3H3,(H,21,24)(H,22,23)/t15-,17+,18-/m1/s1

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Potential Energy
Epot(MMFF94)=56.2241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.52 g/mol  logS: -5.33598  SlogP: 3.7925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0967794  Sterimol/B1: 2.25734  Sterimol/B2: 2.71651  Sterimol/B3: 5.41541
  Sterimol/B4: 8.53965  Sterimol/L: 16.8611 
 
 Surface and Volume Properties
  Accessible surface: 627.502  Positive charged surface: 471.94  Negative charged surface: 155.562  Volume: 363.5
  Hydrophobic surface: 527.893  Hydrophilic surface: 99.609
 
 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.