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CHEMDIV-ZINC03006176

 MMsINC code: MMs00900905
Type: Neutral
Formula: C23H28N2O4
SMILES:   O(C)c1cc(ccc1OC)CCN1CC(CC1=O)C(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C23H28N2O4/c1-16-4-6-18(7-5-16)14-24-23(27)19-13-22(26)25(15-19)11-10-17-8-9-20(28-2)21(12-17)29-3/h4-9,12,19H,10-11,13-15H2,1-3H3,(H,24,27)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.3371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.487 g/mol  logS: -3.78888  SlogP: 2.98599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235413  Sterimol/B1: 2.56239  Sterimol/B2: 3.63915  Sterimol/B3: 4.61463
  Sterimol/B4: 6.51087  Sterimol/L: 23.9962 
 
 Surface and Volume Properties
  Accessible surface: 736.458  Positive charged surface: 524.318  Negative charged surface: 212.14  Volume: 394.625
  Hydrophobic surface: 634.929  Hydrophilic surface: 101.529
 
 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.