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PUBCHEM-ZINC04763353

 MMsINC code: MMs03167900
Type: Neutral
Formula: C19H27N3O6
SMILES:   O(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NC(CCCC)C(OC)=O
InChI:   InChI=1/C19H27N3O6/c1-3-4-10-15(18(25)27-2)22-17(24)12-20-16(23)11-21-19(26)28-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,20,23)(H,21,26)(H,22,24)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.9028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.44 g/mol  logS: -3.92056  SlogP: 1.1434  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232121  Sterimol/B1: 2.13332  Sterimol/B2: 3.50186  Sterimol/B3: 3.80768
  Sterimol/B4: 10.1756  Sterimol/L: 22.2379 
 
 Surface and Volume Properties
  Accessible surface: 754.028  Positive charged surface: 528.916  Negative charged surface: 225.112  Volume: 377.75
  Hydrophobic surface: 533.487  Hydrophilic surface: 220.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.