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CHEMDIV-ZINC03895635

 MMsINC code: MMs00917500
Type: Neutral
Formula: C19H34N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CC)C(C)C)C)CC
InChI:   InChI=1/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)/t13-,14-,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=60.6878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -4.61398  SlogP: 2.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0376415  Sterimol/B1: 1.969  Sterimol/B2: 3.52994  Sterimol/B3: 3.556
  Sterimol/B4: 8.57291  Sterimol/L: 20.9415 
 
 Surface and Volume Properties
  Accessible surface: 679.879  Positive charged surface: 495.062  Negative charged surface: 184.817  Volume: 368.875
  Hydrophobic surface: 495.371  Hydrophilic surface: 184.508
 
 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.