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PUBCHEM-ZINC01651447

 MMsINC code: MMs02817792
Type: Neutral
Formula: C24H28N2O
SMILES:   O(C)c1cc2c3CCc4c(-c3n(c2cc1)CCN1CCCCC1)cccc4
InChI:   InChI=1/C24H28N2O/c1-27-19-10-12-23-22(17-19)21-11-9-18-7-3-4-8-20(18)24(21)26(23)16-15-25-13-5-2-6-14-25/h3-4,7-8,10,12,17H,2,5-6,9,11,13-16H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.4334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.501 g/mol  logS: -5.19874  SlogP: 5.16774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581064  Sterimol/B1: 1.99235  Sterimol/B2: 3.2976  Sterimol/B3: 3.42639
  Sterimol/B4: 12.3436  Sterimol/L: 15.3114 
 
 Surface and Volume Properties
  Accessible surface: 635.477  Positive charged surface: 466.25  Negative charged surface: 163.817  Volume: 376.125
  Hydrophobic surface: 619.198  Hydrophilic surface: 16.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules


MMs02817793
PUBCHEM-ZINC01651447