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CHEMBRIDGE-ZINC04990852

 MMsINC code: MMs00823036
Type: Neutral
Formula: C23H27NO3
SMILES:   o1c2c(c(C(=O)c3cc(C)c(cc3)C)c1C)c(CN(CC)CC)c(O)cc2
InChI:   InChI=1/C23H27NO3/c1-6-24(7-2)13-18-19(25)10-11-20-22(18)21(16(5)27-20)23(26)17-9-8-14(3)15(4)12-17/h8-12,25H,6-7,13H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.473 g/mol  logS: -6.32817  SlogP: 5.40286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239569  Sterimol/B1: 2.43529  Sterimol/B2: 4.18165  Sterimol/B3: 5.51572
  Sterimol/B4: 8.78552  Sterimol/L: 14.0113 
 
 Surface and Volume Properties
  Accessible surface: 612.868  Positive charged surface: 395.884  Negative charged surface: 216.164  Volume: 374.125
  Hydrophobic surface: 512.235  Hydrophilic surface: 100.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00823037
CHEMBRIDGE-ZINC04990852