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CHEMDIV-ZINC04128308

 MMsINC code: MMs00928359
Type: Neutral
Formula: C20H33N3O4
SMILES:   O1CCCC1CN(C(=O)C1NC(=O)CC1)C(CC)(C(=O)NC1CCCC1)C
InChI:   InChI=1/C20H33N3O4/c1-3-20(2,19(26)21-14-7-4-5-8-14)23(13-15-9-6-12-27-15)18(25)16-10-11-17(24)22-16/h14-16H,3-13H2,1-2H3,(H,21,26)(H,22,24)/t15-,16-,20+/m0/s1

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Potential Energy
Epot(MMFF94)=114.228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.501 g/mol  logS: -2.74192  SlogP: 1.5001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142103  Sterimol/B1: 2.15244  Sterimol/B2: 2.42112  Sterimol/B3: 5.37198
  Sterimol/B4: 9.12531  Sterimol/L: 16.0443 
 
 Surface and Volume Properties
  Accessible surface: 611.422  Positive charged surface: 441.184  Negative charged surface: 170.238  Volume: 375.875
  Hydrophobic surface: 475.318  Hydrophilic surface: 136.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.