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ENAMINE-ZINC04513385

 MMsINC code: MMs01544370
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)NC2CCC(CC2)C)C(=O)NC12CCC(CC2)CC
InChI:   InChI=1/C19H31N3O3/c1-3-14-8-10-19(11-9-14)17(24)22(18(25)21-19)12-16(23)20-15-6-4-13(2)5-7-15/h13-15H,3-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14-,15-,19-

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Potential Energy
Epot(MMFF94)=30.3179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.695  SlogP: 2.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640631  Sterimol/B1: 2.44154  Sterimol/B2: 3.31599  Sterimol/B3: 4.3536
  Sterimol/B4: 7.28654  Sterimol/L: 18.8152 
 
 Surface and Volume Properties
  Accessible surface: 628.347  Positive charged surface: 473.196  Negative charged surface: 155.152  Volume: 349.5
  Hydrophobic surface: 464.185  Hydrophilic surface: 164.162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.