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PUBCHEM-ZINC03688738

 MMsINC code: MMs03042724
Type: Neutral
Formula: C24H32N2O2
SMILES:   O(C)c1c(cccc1OC)-c1[nH]c2c(cc(cc2)C(C)(C)C)c1CCCCN
InChI:   InChI=1/C24H32N2O2/c1-24(2,3)16-12-13-20-19(15-16)17(9-6-7-14-25)22(26-20)18-10-8-11-21(27-4)23(18)28-5/h8,10-13,15,26H,6-7,9,14,25H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.532 g/mol  logS: -6.32023  SlogP: 5.43097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104314  Sterimol/B1: 3.30992  Sterimol/B2: 3.45843  Sterimol/B3: 4.51389
  Sterimol/B4: 9.88668  Sterimol/L: 17.4036 
 
 Surface and Volume Properties
  Accessible surface: 700.641  Positive charged surface: 528.426  Negative charged surface: 167.919  Volume: 405.25
  Hydrophobic surface: 547.784  Hydrophilic surface: 152.857
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03042725
PUBCHEM-ZINC03688738