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BACHEM-ZINC04899775

 MMsINC code: MMs00485313
Type: Neutral
Formula: C19H32N4O6
SMILES:   OC(=O)C(NC(=O)C1N(CCC1)C(=O)C1N(CCC1)C(=O)C(N)CC(C)C)CO
InChI:   InChI=1/C19H32N4O6/c1-11(2)9-12(20)17(26)23-8-4-6-15(23)18(27)22-7-3-5-14(22)16(25)21-13(10-24)19(28)29/h11-15,24H,3-10,20H2,1-2H3,(H,21,25)(H,28,29)/t12-,13-,14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=112.803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.487 g/mol  logS: -2.04511  SlogP: -1.0965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109911  Sterimol/B1: 2.59588  Sterimol/B2: 4.44513  Sterimol/B3: 4.53245
  Sterimol/B4: 8.80498  Sterimol/L: 16.4991 
 
 Surface and Volume Properties
  Accessible surface: 692.619  Positive charged surface: 506.911  Negative charged surface: 185.709  Volume: 390.125
  Hydrophobic surface: 407.928  Hydrophilic surface: 284.691
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.