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PUBCHEM-ZINC06274083

 MMsINC code: MMs03652767
Type: Neutral
Formula: C16H26N4O5
SMILES:   O=C1NC(=O)N(C=C1C)CC(=O)NC(C(=O)N(CCC)CCC)CO
InChI:   InChI=1/C16H26N4O5/c1-4-6-19(7-5-2)15(24)12(10-21)17-13(22)9-20-8-11(3)14(23)18-16(20)25/h8,12,21H,4-7,9-10H2,1-3H3,(H,17,22)(H,18,23,25)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=42.0045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.407 g/mol  logS: -1.41858  SlogP: -0.4323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0894832  Sterimol/B1: 2.42441  Sterimol/B2: 3.782  Sterimol/B3: 4.47768
  Sterimol/B4: 8.6975  Sterimol/L: 17.1288 
 
 Surface and Volume Properties
  Accessible surface: 637.185  Positive charged surface: 436.873  Negative charged surface: 200.311  Volume: 336.25
  Hydrophobic surface: 375.123  Hydrophilic surface: 262.062
 
 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.