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NCID-ZINC04933546

 MMsINC code: MMs02416603
Type: Neutral
Formula: C25H30N2O
SMILES:   OC(c1ccc(cc1)CN(C)C)(c1ccc(cc1)CN(C)C)c1ccccc1
InChI:   InChI=1/C25H30N2O/c1-26(2)18-20-10-14-23(15-11-20)25(28,22-8-6-5-7-9-22)24-16-12-21(13-17-24)19-27(3)4/h5-17,28H,18-19H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.978 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.528 g/mol  logS: -4.4346  SlogP: 4.9383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11395  Sterimol/B1: 2.5025  Sterimol/B2: 3.09643  Sterimol/B3: 5.02236
  Sterimol/B4: 10.3821  Sterimol/L: 17.8505 
 
 Surface and Volume Properties
  Accessible surface: 680.036  Positive charged surface: 520.047  Negative charged surface: 159.989  Volume: 401.75
  Hydrophobic surface: 642.673  Hydrophilic surface: 37.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02416604
NCID-ZINC04933546