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IBS-ZINC04673018

 MMsINC code: MMs01888272
Type: Neutral
Formula: C24H30N4O2
SMILES:   O=C(N1CCN(CC1)Cc1ccccc1)C(=O)N1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C24H30N4O2/c29-23(27-15-11-25(12-16-27)19-21-7-3-1-4-8-21)24(30)28-17-13-26(14-18-28)20-22-9-5-2-6-10-22/h1-10H,11-20H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.774 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.53 g/mol  logS: -3.35296  SlogP: 2.208  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177432  Sterimol/B1: 2.19459  Sterimol/B2: 2.68574  Sterimol/B3: 6.18371
  Sterimol/B4: 8.94015  Sterimol/L: 17.524 
 
 Surface and Volume Properties
  Accessible surface: 697.064  Positive charged surface: 475.226  Negative charged surface: 221.838  Volume: 409.5
  Hydrophobic surface: 617.651  Hydrophilic surface: 79.413
 
 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


MMs01888273
IBS-ZINC04673018