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AURORAFEINCHEMIE-ZINC05429323

 MMsINC code: MMs00475350
Type: Neutral
Formula: C20H27N3O4
SMILES:   O=C1N(CCCCCC(=O)NCCOC)C(=O)N2C1Cc1c(C2)cccc1
InChI:   InChI=1/C20H27N3O4/c1-27-12-10-21-18(24)9-3-2-6-11-22-19(25)17-13-15-7-4-5-8-16(15)14-23(17)20(22)26/h4-5,7-8,17H,2-3,6,9-14H2,1H3,(H,21,24)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.453 g/mol  logS: -2.68271  SlogP: 1.96487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0382492  Sterimol/B1: 3.51371  Sterimol/B2: 4.38235  Sterimol/B3: 4.52106
  Sterimol/B4: 4.74636  Sterimol/L: 22.3627 
 
 Surface and Volume Properties
  Accessible surface: 692.885  Positive charged surface: 514.132  Negative charged surface: 178.753  Volume: 367
  Hydrophobic surface: 562.437  Hydrophilic surface: 130.448
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.