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NCID-ZINC01655776

 MMsINC code: MMs02294364
Type: Neutral
Formula: C19H26N2O5
SMILES:   O(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(C(C)C)C(OC)=O
InChI:   InChI=1/C19H26N2O5/c1-13(2)16(18(23)25-3)20-17(22)15-10-7-11-21(15)19(24)26-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,7,10-12H2,1-3H3,(H,20,22)/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.426 g/mol  logS: -3.36571  SlogP: 2.3678  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577491  Sterimol/B1: 2.02556  Sterimol/B2: 3.56647  Sterimol/B3: 5.51844
  Sterimol/B4: 7.69698  Sterimol/L: 19.5672 
 
 Surface and Volume Properties
  Accessible surface: 663.046  Positive charged surface: 464.484  Negative charged surface: 198.562  Volume: 355
  Hydrophobic surface: 544.031  Hydrophilic surface: 119.015
 
 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.