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PUBCHEM-ZINC05669641

 MMsINC code: MMs03341328
Type: Neutral
Formula: C24H27N3O2
SMILES:   O1CCN(CC1)CCCNC(=O)c1cc(nc2c1cccc2)-c1ccccc1C
InChI:   InChI=1/C24H27N3O2/c1-18-7-2-3-8-19(18)23-17-21(20-9-4-5-10-22(20)26-23)24(28)25-11-6-12-27-13-15-29-16-14-27/h2-5,7-10,17H,6,11-16H2,1H3,(H,25,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.499 g/mol  logS: -5.37979  SlogP: 3.66232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042914  Sterimol/B1: 2.38565  Sterimol/B2: 5.30627  Sterimol/B3: 5.43367
  Sterimol/B4: 8.74708  Sterimol/L: 18.1071 
 
 Surface and Volume Properties
  Accessible surface: 707.057  Positive charged surface: 491.913  Negative charged surface: 206.561  Volume: 392.5
  Hydrophobic surface: 643.495  Hydrophilic surface: 63.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03341329
PUBCHEM-ZINC05669641