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NCID-ZINC01642756

 MMsINC code: MMs02284449
Type: Neutral
Formula: C19H26N2O4
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(NC(=O)C)C(C)C)Cc1ccccc1
InChI:   InChI=1/C19H26N2O4/c1-13(2)17(20-14(3)22)18(23)21-11-7-10-16(21)19(24)25-12-15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,20,22)/t16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.6586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.29625  SlogP: 2.1479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100422  Sterimol/B1: 2.16949  Sterimol/B2: 3.14374  Sterimol/B3: 5.47046
  Sterimol/B4: 7.56174  Sterimol/L: 18.5648 
 
 Surface and Volume Properties
  Accessible surface: 622.844  Positive charged surface: 408.079  Negative charged surface: 214.764  Volume: 342.25
  Hydrophobic surface: 506.006  Hydrophilic surface: 116.838
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.