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CHEMDIV-ZINC00207657

 MMsINC code: MMs00839860
Type: Neutral
Formula: C20H32N2O2
SMILES:   O(C)c1cc(ccc1OC)CN1CCC(N2CCCCCC2)CC1
InChI:   InChI=1/C20H32N2O2/c1-23-19-8-7-17(15-20(19)24-2)16-21-13-9-18(10-14-21)22-11-5-3-4-6-12-22/h7-8,15,18H,3-6,9-14,16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.6685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.488 g/mol  logS: -2.76328  SlogP: 3.8106  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135141  Sterimol/B1: 2.14271  Sterimol/B2: 2.2593  Sterimol/B3: 6.68759
  Sterimol/B4: 7.32939  Sterimol/L: 16.9353 
 
 Surface and Volume Properties
  Accessible surface: 619.845  Positive charged surface: 523.743  Negative charged surface: 96.1022  Volume: 350.75
  Hydrophobic surface: 594.472  Hydrophilic surface: 25.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs00839861
CHEMDIV-ZINC00207657