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NANOSIN-ZINC04755089

 MMsINC code: MMs02212304
Type: Neutral
Formula: C25H35N3O3
SMILES:   OC(CCC(C)C)(CCC(C)C)C(=O)NN(C(=O)Nc1ccccc1)c1ccccc1
InChI:   InChI=1/C25H35N3O3/c1-19(2)15-17-25(31,18-16-20(3)4)23(29)27-28(22-13-9-6-10-14-22)24(30)26-21-11-7-5-8-12-21/h5-14,19-20,31H,15-18H2,1-4H3,(H,26,30)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.573 g/mol  logS: -7.37729  SlogP: 5.3598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0941238  Sterimol/B1: 2.87933  Sterimol/B2: 4.50315  Sterimol/B3: 7.23761
  Sterimol/B4: 8.67471  Sterimol/L: 17.1188 
 
 Surface and Volume Properties
  Accessible surface: 758.046  Positive charged surface: 481.204  Negative charged surface: 276.842  Volume: 442.625
  Hydrophobic surface: 609.885  Hydrophilic surface: 148.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.