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AURORAFEINCHEMIE-ZINC05352779

 MMsINC code: MMs00474889
Type: Neutral
Formula: C23H25N3O3
SMILES:   O=C1N(CCC(=O)NCCCc2ccccc2)C(=O)N2C1Cc1c(C2)cccc1
InChI:   InChI=1/C23H25N3O3/c27-21(24-13-6-9-17-7-2-1-3-8-17)12-14-25-22(28)20-15-18-10-4-5-11-19(18)16-26(20)23(25)29/h1-5,7-8,10-11,20H,6,9,12-16H2,(H,24,27)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.4131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -3.9659  SlogP: 2.78094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492298  Sterimol/B1: 2.79573  Sterimol/B2: 3.81795  Sterimol/B3: 4.27044
  Sterimol/B4: 7.11252  Sterimol/L: 20.9572 
 
 Surface and Volume Properties
  Accessible surface: 699.095  Positive charged surface: 445.589  Negative charged surface: 253.505  Volume: 381.75
  Hydrophobic surface: 572.367  Hydrophilic surface: 126.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.