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CHEMBRIDGE-ZINC00998325

 MMsINC code: MMs00651288
Type: Neutral
Formula: C23H24N2O2
SMILES:   o1c(ccc1C)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H24N2O2/c1-18-12-13-21(27-18)23(26)25-16-14-24(15-17-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,22H,14-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.457 g/mol  logS: -5.07251  SlogP: 4.23092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893688  Sterimol/B1: 3.62404  Sterimol/B2: 4.21197  Sterimol/B3: 4.88532
  Sterimol/B4: 6.89452  Sterimol/L: 16.4937 
 
 Surface and Volume Properties
  Accessible surface: 639.047  Positive charged surface: 400.653  Negative charged surface: 238.394  Volume: 364.75
  Hydrophobic surface: 603.326  Hydrophilic surface: 35.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs00651289
CHEMBRIDGE-ZINC00998325