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ENAMINE-ZINC04469565

 MMsINC code: MMs01539834
Type: Neutral
Formula: C19H31N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC(C)C2C)C(=O)NC12CCCCCC2
InChI:   InChI=1/C19H31N3O3/c1-13-8-7-9-15(14(13)2)20-16(23)12-22-17(24)19(21-18(22)25)10-5-3-4-6-11-19/h13-15H,3-12H2,1-2H3,(H,20,23)(H,21,25)/t13-,14+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=52.5207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -4.38155  SlogP: 2.5721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483069  Sterimol/B1: 2.82886  Sterimol/B2: 3.73296  Sterimol/B3: 4.37386
  Sterimol/B4: 5.20608  Sterimol/L: 18.2285 
 
 Surface and Volume Properties
  Accessible surface: 608.336  Positive charged surface: 435.71  Negative charged surface: 172.626  Volume: 346.875
  Hydrophobic surface: 455.806  Hydrophilic surface: 152.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.