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CHEMDIV-ZINC03895642

 MMsINC code: MMs00917505
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)=80.4623 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: 0.0825479  Sterimol/B1: 2.60261  Sterimol/B2: 3.50198  Sterimol/B3: 5.92257
  Sterimol/B4: 6.36883  Sterimol/L: 19.8005 
 
 Surface and Volume Properties
  Accessible surface: 659.589  Positive charged surface: 498.254  Negative charged surface: 161.336  Volume: 382
  Hydrophobic surface: 488.125  Hydrophilic surface: 171.464
 
 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.