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PUBCHEM-ZINC05962767

 MMsINC code: MMs03463040
Type: Neutral
Formula: C18H35N3O3
SMILES:   O=C(NC(CC(C)C)C=O)C(NC(=O)C(N)CC(C)C)CC(C)C
InChI:   InChI=1/C18H35N3O3/c1-11(2)7-14(10-22)20-18(24)16(9-13(5)6)21-17(23)15(19)8-12(3)4/h10-16H,7-9,19H2,1-6H3,(H,20,24)(H,21,23)/t14-,15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=89.0953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.496 g/mol  logS: -4.33785  SlogP: 1.6205  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.115142  Sterimol/B1: 2.26597  Sterimol/B2: 3.08563  Sterimol/B3: 6.2909
  Sterimol/B4: 8.8733  Sterimol/L: 15.7639 
 
 Surface and Volume Properties
  Accessible surface: 657.659  Positive charged surface: 461.046  Negative charged surface: 196.613  Volume: 368.125
  Hydrophobic surface: 400.348  Hydrophilic surface: 257.311
 
 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


MMs03463041
PUBCHEM-ZINC05962767