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PUBCHEM-ZINC06906870

 MMsINC code: MMs03897280
Type: Neutral
Formula: C15H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC1(CCC(C)C)C
InChI:   InChI=1/C15H26N4O4/c1-9(2)6-7-15(5)12(21)19(14(23)18-15)8-11(20)17-13(22)16-10(3)4/h9-10H,6-8H2,1-5H3,(H,18,23)(H2,16,17,20,22)/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=8.93378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.397 g/mol  logS: -3.49186  SlogP: 0.9673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480839  Sterimol/B1: 3.16218  Sterimol/B2: 3.77783  Sterimol/B3: 4.18851
  Sterimol/B4: 7.03103  Sterimol/L: 17.8172 
 
 Surface and Volume Properties
  Accessible surface: 609.142  Positive charged surface: 415.403  Negative charged surface: 193.74  Volume: 316.75
  Hydrophobic surface: 329.655  Hydrophilic surface: 279.487
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.