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CHEMBLOCK-ZINC04698402

 MMsINC code: MMs00570866
Type: Neutral
Formula: C23H33NO2
SMILES:   O(CCNC(=O)CC12CC3CC(C1)CC(C2)C3)c1c(cc(cc1C)C)C
InChI:   InChI=1/C23H33NO2/c1-15-6-16(2)22(17(3)7-15)26-5-4-24-21(25)14-23-11-18-8-19(12-23)10-20(9-18)13-23/h6-7,18-20H,4-5,8-14H2,1-3H3,(H,24,25)/t18-,19+,20-,23-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.9375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.522 g/mol  logS: -6.94268  SlogP: 4.71336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482683  Sterimol/B1: 3.58286  Sterimol/B2: 3.70591  Sterimol/B3: 3.98924
  Sterimol/B4: 5.60652  Sterimol/L: 19.2327 
 
 Surface and Volume Properties
  Accessible surface: 640.18  Positive charged surface: 483.312  Negative charged surface: 156.868  Volume: 376.25
  Hydrophobic surface: 619.595  Hydrophilic surface: 20.585
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.