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PUBCHEM-ZINC05837470

 MMsINC code: MMs03408792
Type: Neutral
Formula: C15H24N4O4
SMILES:   O=C1NC(CC1)C(=O)NC(CCC)C(=O)N1CCCC1C(=O)N
InChI:   InChI=1/C15H24N4O4/c1-2-4-10(18-14(22)9-6-7-12(20)17-9)15(23)19-8-3-5-11(19)13(16)21/h9-11H,2-8H2,1H3,(H2,16,21)(H,17,20)(H,18,22)/t9-,10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=80.5127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -2.10993  SlogP: -0.9738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097293  Sterimol/B1: 2.20616  Sterimol/B2: 2.98668  Sterimol/B3: 5.15923
  Sterimol/B4: 8.11757  Sterimol/L: 15.6088 
 
 Surface and Volume Properties
  Accessible surface: 574.5  Positive charged surface: 408.033  Negative charged surface: 166.466  Volume: 304.25
  Hydrophobic surface: 336.325  Hydrophilic surface: 238.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.