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PUBCHEM-ZINC06861350

 MMsINC code: MMs03880215
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-/m1/s1

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Potential Energy
Epot(MMFF94)=51.2447 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: 0.0861678  Sterimol/B1: 3.42545  Sterimol/B2: 4.68584  Sterimol/B3: 4.69495
  Sterimol/B4: 5.44271  Sterimol/L: 16.6787 
 
 Surface and Volume Properties
  Accessible surface: 599.453  Positive charged surface: 419.578  Negative charged surface: 179.876  Volume: 324.75
  Hydrophobic surface: 381.411  Hydrophilic surface: 218.042
 
 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.