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ASINEX-ZINC00893483

 MMsINC code: MMs00210651
Type: Neutral
Formula: C23H32N2O4
SMILES:   O(CC)c1cc(ccc1OC)CN1CCN(CC1)Cc1cc(OC)ccc1OC
InChI:   InChI=1/C23H32N2O4/c1-5-29-23-14-18(6-8-22(23)28-4)16-24-10-12-25(13-11-24)17-19-15-20(26-2)7-9-21(19)27-3/h6-9,14-15H,5,10-13,16-17H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.519 g/mol  logS: -3.59969  SlogP: 3.9617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10348  Sterimol/B1: 2.24597  Sterimol/B2: 4.22596  Sterimol/B3: 6.26116
  Sterimol/B4: 7.28441  Sterimol/L: 18.0199 
 
 Surface and Volume Properties
  Accessible surface: 736.343  Positive charged surface: 617.343  Negative charged surface: 119  Volume: 407.5
  Hydrophobic surface: 673.41  Hydrophilic surface: 62.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs00210652
ASINEX-ZINC00893483