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PUBCHEM-ZINC01412897

 MMsINC code: MMs02802759
Type: Neutral
Formula: C24H28N2O2
SMILES:   O=C1N(CC1)C1(CCCCC1)C(=O)NC(Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C24H28N2O2/c27-22-14-17-26(22)24(15-8-3-9-16-24)23(28)25-21(20-12-6-2-7-13-20)18-19-10-4-1-5-11-19/h1-2,4-7,10-13,21H,3,8-9,14-18H2,(H,25,28)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -4.92886  SlogP: 4.11727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.24536  Sterimol/B1: 2.53908  Sterimol/B2: 4.35365  Sterimol/B3: 4.5599
  Sterimol/B4: 11.6302  Sterimol/L: 12.8272 
 
 Surface and Volume Properties
  Accessible surface: 617.539  Positive charged surface: 345.884  Negative charged surface: 217.265  Volume: 387.125
  Hydrophobic surface: 569.217  Hydrophilic surface: 48.322
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.