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NCID-ZINC05463223

 MMsINC code: MMs02464416
Type: Neutral
Formula: C23H26N2O2
SMILES:   O1C2C(N3CN(C4C(OC3)Cc3c(C4)cccc3)C1)Cc1c(C2)cccc1
InChI:   InChI=1/C23H26N2O2/c1-3-7-18-11-22-20(9-16(18)5-1)24-13-25(15-26-22)21-10-17-6-2-4-8-19(17)12-23(21)27-14-24/h1-8,20-23H,9-15H2/t20-,21-,22-,23+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -3.11226  SlogP: 2.59518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130153  Sterimol/B1: 2.85742  Sterimol/B2: 3.75433  Sterimol/B3: 4.34238
  Sterimol/B4: 6.87799  Sterimol/L: 16.4509 
 
 Surface and Volume Properties
  Accessible surface: 576.232  Positive charged surface: 386.502  Negative charged surface: 189.73  Volume: 352.25
  Hydrophobic surface: 522.689  Hydrophilic surface: 53.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.