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PUBCHEM-ZINC04676227

 MMsINC code: MMs03152868
Type: Neutral
Formula: C11H21N3O3
SMILES:   O=C(NCCC(C)C)CCC(=O)NCC(=O)N
InChI:   InChI=1/C11H21N3O3/c1-8(2)5-6-13-10(16)3-4-11(17)14-7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,16)(H,14,17)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.8192 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.307 g/mol  logS: -1.5375  SlogP: -0.4696  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018496  Sterimol/B1: 2.172  Sterimol/B2: 2.48802  Sterimol/B3: 3.52666
  Sterimol/B4: 4.50695  Sterimol/L: 19.1985 
 
 Surface and Volume Properties
  Accessible surface: 521.931  Positive charged surface: 384.963  Negative charged surface: 136.968  Volume: 243.75
  Hydrophobic surface: 268.516  Hydrophilic surface: 253.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.