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PUBCHEM-ZINC03627198

 MMsINC code: MMs03026083
Type: Neutral
Formula: C24H33N3
SMILES:   N1(Cc2c(CCc3c(C1)cccc3)cccc2)CCCN1CCN(CC1)C
InChI:   InChI=1/C24H33N3/c1-25-15-17-26(18-16-25)13-6-14-27-19-23-9-4-2-7-21(23)11-12-22-8-3-5-10-24(22)20-27/h2-5,7-10H,6,11-20H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.406 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.549 g/mol  logS: -4.01642  SlogP: 3.95764  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824902  Sterimol/B1: 2.39641  Sterimol/B2: 5.09187  Sterimol/B3: 5.7823
  Sterimol/B4: 6.83439  Sterimol/L: 17.553 
 
 Surface and Volume Properties
  Accessible surface: 637.137  Positive charged surface: 493.677  Negative charged surface: 143.46  Volume: 387
  Hydrophobic surface: 619.269  Hydrophilic surface: 17.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03026084
PUBCHEM-ZINC03627198