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PUBCHEM-ZINC00657094

 MMsINC code: MMs02721795
Type: Neutral
Formula: C26H34N2O2
SMILES:   O=C(NC1CCC(NC(=O)c2ccc(cc2)C(C)C)CC1)c1ccc(cc1)C(C)C
InChI:   InChI=1/C26H34N2O2/c1-17(2)19-5-9-21(10-6-19)25(29)27-23-13-15-24(16-14-23)28-26(30)22-11-7-20(8-12-22)18(3)4/h5-12,17-18,23-24H,13-16H2,1-4H3,(H,27,29)(H,28,30)/t23-,24-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.3585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.57 g/mol  logS: -7.43612  SlogP: 5.4044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0288904  Sterimol/B1: 2.85657  Sterimol/B2: 3.88369  Sterimol/B3: 4.09393
  Sterimol/B4: 4.56045  Sterimol/L: 24.8068 
 
 Surface and Volume Properties
  Accessible surface: 766.589  Positive charged surface: 505.989  Negative charged surface: 260.6  Volume: 431.125
  Hydrophobic surface: 614.083  Hydrophilic surface: 152.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.