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ENAMINE-ZINC00626575

 MMsINC code: MMs01234154
Type: Neutral
Formula: C19H32N2O4
SMILES:   O1C(C(=O)NC2CCCCC2)C(OC1(C)C)C(=O)NC1CCCCC1
InChI:   InChI=1/C19H32N2O4/c1-19(2)24-15(17(22)20-13-9-5-3-6-10-13)16(25-19)18(23)21-14-11-7-4-8-12-14/h13-16H,3-12H2,1-2H3,(H,20,22)(H,21,23)/t15-,16+

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Potential Energy
Epot(MMFF94)=60.0832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.475 g/mol  logS: -4.02246  SlogP: 2.4043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132362  Sterimol/B1: 3.06852  Sterimol/B2: 4.68374  Sterimol/B3: 4.90815
  Sterimol/B4: 6.39678  Sterimol/L: 14.4305 
 
 Surface and Volume Properties
  Accessible surface: 578.186  Positive charged surface: 426.865  Negative charged surface: 151.321  Volume: 352.5
  Hydrophobic surface: 463.812  Hydrophilic surface: 114.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.