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CHEMDIV-ZINC03895644

 MMsINC code: MMs00917507
Type: Neutral
Formula: C20H36N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CC)C(C)C)C(C)C)C
InChI:   InChI=1/C20H36N2O4/c1-7-14-8-10-15(11-9-14)18(23)21-16(12(2)3)19(24)22-17(13(4)5)20(25)26-6/h12-17H,7-11H2,1-6H3,(H,21,23)(H,22,24)/t14-,15-,16-,17-/m1/s1

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Potential Energy
Epot(MMFF94)=82.7208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.518 g/mol  logS: -4.69031  SlogP: 2.6574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616355  Sterimol/B1: 2.31187  Sterimol/B2: 4.51703  Sterimol/B3: 5.71866
  Sterimol/B4: 6.06944  Sterimol/L: 20.2814 
 
 Surface and Volume Properties
  Accessible surface: 666.635  Positive charged surface: 501.811  Negative charged surface: 164.824  Volume: 384.625
  Hydrophobic surface: 501.923  Hydrophilic surface: 164.712
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.