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CHEMDIV-ZINC06819330

 MMsINC code: MMs01042867
Type: Neutral
Formula: C24H33N3O4
SMILES:   O(C)c1c(OC)cc(NC(=O)NCC2CCN(CC2)Cc2ccc(cc2)C)cc1OC
InChI:   InChI=1/C24H33N3O4/c1-17-5-7-19(8-6-17)16-27-11-9-18(10-12-27)15-25-24(28)26-20-13-21(29-2)23(31-4)22(14-20)30-3/h5-8,13-14,18H,9-12,15-16H2,1-4H3,(H2,25,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.6434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 427.545 g/mol  logS: -4.34775  SlogP: 4.32092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888538  Sterimol/B1: 2.06206  Sterimol/B2: 4.27226  Sterimol/B3: 6.46118
  Sterimol/B4: 8.71941  Sterimol/L: 21.4357 
 
 Surface and Volume Properties
  Accessible surface: 775.787  Positive charged surface: 623.602  Negative charged surface: 152.185  Volume: 431.125
  Hydrophobic surface: 692.069  Hydrophilic surface: 83.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs01042868
CHEMDIV-ZINC06819330