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CHEMBLOCK-ZINC01067512

 MMsINC code: MMs00512849
Type: Neutral
Formula: C24H30N2O3
SMILES:   OCC(=O)N(Cc1ccccc1)C1(CCCCC1)C(=O)Nc1c(cccc1C)C
InChI:   InChI=1/C24H30N2O3/c1-18-10-9-11-19(2)22(18)25-23(29)24(14-7-4-8-15-24)26(21(28)17-27)16-20-12-5-3-6-13-20/h3,5-6,9-13,27H,4,7-8,14-17H2,1-2H3,(H,25,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=226.153 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -5.01099  SlogP: 4.23234  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.379043  Sterimol/B1: 2.20095  Sterimol/B2: 3.97517  Sterimol/B3: 5.53306
  Sterimol/B4: 8.37994  Sterimol/L: 14.006 
 
 Surface and Volume Properties
  Accessible surface: 581.95  Positive charged surface: 356.966  Negative charged surface: 224.984  Volume: 390.875
  Hydrophobic surface: 502.679  Hydrophilic surface: 79.271
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.