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PUBCHEM-ZINC06397855

 MMsINC code: MMs03706823
Type: Neutral
Formula: C18H35N3O4
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(N)CC(C)C)CC(C)C)CCCC
InChI:   InChI=1/C18H35N3O4/c1-6-7-8-14(18(24)25)20-17(23)15(10-12(4)5)21-16(22)13(19)9-11(2)3/h11-15H,6-10,19H2,1-5H3,(H,20,23)(H,21,22)(H,24,25)/t13-,14+,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.5384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.495 g/mol  logS: -4.30114  SlogP: 1.6503  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132758  Sterimol/B1: 2.32976  Sterimol/B2: 3.17478  Sterimol/B3: 6.68773
  Sterimol/B4: 8.89804  Sterimol/L: 17.7169 
 
 Surface and Volume Properties
  Accessible surface: 675.829  Positive charged surface: 477.665  Negative charged surface: 198.164  Volume: 371.75
  Hydrophobic surface: 395.15  Hydrophilic surface: 280.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.