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PUBCHEM-ZINC03741715

 MMsINC code: MMs03067080
Type: Neutral
Formula: C24H32N2O
SMILES:   O(CCCC)c1ccc(cc1)-c1[nH]c2c(cc(cc2C)C)c1CCCCN
InChI:   InChI=1/C24H32N2O/c1-4-5-14-27-20-11-9-19(10-12-20)24-21(8-6-7-13-25)22-16-17(2)15-18(3)23(22)26-24/h9-12,15-16,26H,4-8,13-14,25H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.533 g/mol  logS: -5.92886  SlogP: 5.91201  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0460646  Sterimol/B1: 2.8849  Sterimol/B2: 4.64611  Sterimol/B3: 5.62593
  Sterimol/B4: 8.68359  Sterimol/L: 20.486 
 
 Surface and Volume Properties
  Accessible surface: 729.659  Positive charged surface: 520.124  Negative charged surface: 204.353  Volume: 394.625
  Hydrophobic surface: 616.129  Hydrophilic surface: 113.53
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03067081
PUBCHEM-ZINC03741715