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PUBCHEM-ZINC06861347

 MMsINC code: MMs03880213
Type: Neutral
Formula: C16H24N4O5
SMILES:   O=C1NC(=O)N(C=C1C)CC(=O)NC(C(=O)N1CCCCCC1)CO
InChI:   InChI=1/C16H24N4O5/c1-11-8-20(16(25)18-14(11)23)9-13(22)17-12(10-21)15(24)19-6-4-2-3-5-7-19/h8,12,21H,2-7,9-10H2,1H3,(H,17,22)(H,18,23,25)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=62.5075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.391 g/mol  logS: -1.31654  SlogP: -0.6783  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0760067  Sterimol/B1: 2.29026  Sterimol/B2: 3.6615  Sterimol/B3: 4.38848
  Sterimol/B4: 6.5748  Sterimol/L: 17.2742 
 
 Surface and Volume Properties
  Accessible surface: 594.672  Positive charged surface: 418.576  Negative charged surface: 176.096  Volume: 322.875
  Hydrophobic surface: 375.535  Hydrophilic surface: 219.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.