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CHEMDIV-ZINC03036431

 MMsINC code: MMs00906232
Type: Neutral
Formula: C23H32N2O2
SMILES:   O=C1N(CC(=O)N(C1c1ccccc1C)C1CCCCC1)C1CCCCC1
InChI:   InChI=1/C23H32N2O2/c1-17-10-8-9-15-20(17)22-23(27)24(18-11-4-2-5-12-18)16-21(26)25(22)19-13-6-3-7-14-19/h8-10,15,18-19,22H,2-7,11-14,16H2,1H3/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.521 g/mol  logS: -5.05664  SlogP: 4.46782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156964  Sterimol/B1: 1.97012  Sterimol/B2: 3.52242  Sterimol/B3: 6.79742
  Sterimol/B4: 8.20787  Sterimol/L: 15.7208 
 
 Surface and Volume Properties
  Accessible surface: 624.668  Positive charged surface: 445.798  Negative charged surface: 178.869  Volume: 378.875
  Hydrophobic surface: 580.48  Hydrophilic surface: 44.188
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.