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NIH-ZINC03626044

 MMsINC code: MMs02525786
Type: Neutral
Formula: C18H28N4O4
SMILES:   O=C1NC(=O)NC1CC(=O)NC1(CCCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C18H28N4O4/c23-14(11-13-15(24)21-17(26)20-13)22-18(9-5-2-6-10-18)16(25)19-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,19,25)(H,22,23)(H2,20,21,24,26)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=24.4789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.446 g/mol  logS: -3.30982  SlogP: 0.8525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103893  Sterimol/B1: 3.07084  Sterimol/B2: 3.90455  Sterimol/B3: 6.09384
  Sterimol/B4: 7.16957  Sterimol/L: 14.0022 
 
 Surface and Volume Properties
  Accessible surface: 599.68  Positive charged surface: 423.186  Negative charged surface: 176.494  Volume: 345.125
  Hydrophobic surface: 412.986  Hydrophilic surface: 186.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.