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NANOSIN-ZINC04256737

 MMsINC code: MMs02204925
Type: Neutral
Formula: C24H34N2O5
SMILES:   O(C)c1cc(ccc1OC)CCN(CCC(=O)NCCc1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C24H34N2O5/c1-26(14-11-19-7-9-21(29-3)23(17-19)31-5)15-12-24(27)25-13-10-18-6-8-20(28-2)22(16-18)30-4/h6-9,16-17H,10-15H2,1-5H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.13 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.545 g/mol  logS: -3.40318  SlogP: 2.94424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398985  Sterimol/B1: 2.33901  Sterimol/B2: 2.48576  Sterimol/B3: 6.07657
  Sterimol/B4: 8.3945  Sterimol/L: 24.8509 
 
 Surface and Volume Properties
  Accessible surface: 809.014  Positive charged surface: 666.099  Negative charged surface: 142.916  Volume: 438.375
  Hydrophobic surface: 722.255  Hydrophilic surface: 86.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02204926
NANOSIN-ZINC04256737