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NCID-ZINC03948613

 MMsINC code: MMs02382045
Type: Neutral
Formula: C24H27NO5
SMILES:   O(C)c1cc2c3c(CN4C(CCC4)C3O)c3cc(OC)c(OC)cc3c2cc1OC
InChI:   InChI=1/C24H27NO5/c1-27-19-8-13-14-9-20(28-2)22(30-4)11-16(14)23-17(15(13)10-21(19)29-3)12-25-7-5-6-18(25)24(23)26/h8-11,18,24,26H,5-7,12H2,1-4H3/t18-,24+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=174.135 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.482 g/mol  logS: -5.68585  SlogP: 4.4007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0317747  Sterimol/B1: 3.00906  Sterimol/B2: 3.04908  Sterimol/B3: 5.40833
  Sterimol/B4: 10.7146  Sterimol/L: 15.3141 
 
 Surface and Volume Properties
  Accessible surface: 659.843  Positive charged surface: 529.575  Negative charged surface: 107.222  Volume: 389.625
  Hydrophobic surface: 595.843  Hydrophilic surface: 64
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs02382046
NCID-ZINC03948613