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ENAMINE-ZINC03428466

 MMsINC code: MMs01436009
Type: Neutral
Formula: C23H24N2O
SMILES:   O=C(NCC(N(C)C)c1ccccc1)c1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C23H24N2O/c1-25(2)22(20-11-7-4-8-12-20)17-24-23(26)21-15-13-19(14-16-21)18-9-5-3-6-10-18/h3-16,22H,17H2,1-2H3,(H,24,26)/t22-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.458 g/mol  logS: -5.62318  SlogP: 4.4818  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347047  Sterimol/B1: 2.29667  Sterimol/B2: 4.02847  Sterimol/B3: 5.32861
  Sterimol/B4: 5.55136  Sterimol/L: 20.606 
 
 Surface and Volume Properties
  Accessible surface: 647.662  Positive charged surface: 384.522  Negative charged surface: 251  Volume: 357.875
  Hydrophobic surface: 608.666  Hydrophilic surface: 38.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01436010
ENAMINE-ZINC03428466