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ENAMINE-ZINC06543091

 MMsINC code: MMs01669783
Type: Neutral
Formula: C19H30N4O4
SMILES:   O1CCCC1C(=O)N1CCN(CC1)CN1C(=O)C2(NC1=O)CCC(CC2)C
InChI:   InChI=1/C19H30N4O4/c1-14-4-6-19(7-5-14)17(25)23(18(26)20-19)13-21-8-10-22(11-9-21)16(24)15-3-2-12-27-15/h14-15H,2-13H2,1H3,(H,20,26)/t14-,15-,19-/m1/s1

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Potential Energy
Epot(MMFF94)=64.5434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.473 g/mol  logS: -2.53468  SlogP: 0.7678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0715596  Sterimol/B1: 2.34882  Sterimol/B2: 2.55329  Sterimol/B3: 4.61144
  Sterimol/B4: 8.64898  Sterimol/L: 16.4787 
 
 Surface and Volume Properties
  Accessible surface: 623.874  Positive charged surface: 487.196  Negative charged surface: 136.678  Volume: 359.875
  Hydrophobic surface: 472.143  Hydrophilic surface: 151.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.