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CHEMDIV-ZINC06729675

 MMsINC code: MMs01003375
Type: Neutral
Formula: C24H28N2O5
SMILES:   O(C)c1cc2c(cc1OC)C(=O)N1C(c3c(CC1)cccc3)C2C(=O)NCCCOC
InChI:   InChI=1/C24H28N2O5/c1-29-12-6-10-25-23(27)21-17-13-19(30-2)20(31-3)14-18(17)24(28)26-11-9-15-7-4-5-8-16(15)22(21)26/h4-5,7-8,13-14,21-22H,6,9-12H2,1-3H3,(H,25,27)/t21-,22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=214.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.497 g/mol  logS: -4.05296  SlogP: 2.78877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061787  Sterimol/B1: 2.935  Sterimol/B2: 4.20007  Sterimol/B3: 5.51115
  Sterimol/B4: 8.49354  Sterimol/L: 17.7314 
 
 Surface and Volume Properties
  Accessible surface: 679.04  Positive charged surface: 528.229  Negative charged surface: 150.811  Volume: 402
  Hydrophobic surface: 595.934  Hydrophilic surface: 83.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.