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CHEMDIV-ZINC04711415

 MMsINC code: MMs00943289
Type: Neutral
Formula: C23H28N2O4
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C1N(CCc2ccccc2)C(=O)CC1
InChI:   InChI=1/C23H28N2O4/c1-28-20-10-8-18(16-21(20)29-2)12-14-24-23(27)19-9-11-22(26)25(19)15-13-17-6-4-3-5-7-17/h3-8,10,16,19H,9,11-15H2,1-2H3,(H,24,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.487 g/mol  logS: -3.82172  SlogP: 2.59614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408148  Sterimol/B1: 2.8345  Sterimol/B2: 3.46909  Sterimol/B3: 4.07608
  Sterimol/B4: 9.62841  Sterimol/L: 18.2336 
 
 Surface and Volume Properties
  Accessible surface: 729.232  Positive charged surface: 513.465  Negative charged surface: 215.767  Volume: 394.125
  Hydrophobic surface: 640.009  Hydrophilic surface: 89.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.