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CHEMDIV-ZINC06913609

 MMsINC code: MMs01060171
Type: Neutral
Formula: C24H26ClN3O2
SMILES:   Clc1ccc(cc1)Cn1c2c(cc(cc2)C(=O)N2CCC(CC2)C(=O)N)c(C)c1C
InChI:   InChI=1/C24H26ClN3O2/c1-15-16(2)28(14-17-3-6-20(25)7-4-17)22-8-5-19(13-21(15)22)24(30)27-11-9-18(10-12-27)23(26)29/h3-8,13,18H,9-12,14H2,1-2H3,(H2,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.5151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.944 g/mol  logS: -5.1724  SlogP: 4.56374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0641903  Sterimol/B1: 2.37802  Sterimol/B2: 2.39164  Sterimol/B3: 5.38882
  Sterimol/B4: 8.04774  Sterimol/L: 19.2359 
 
 Surface and Volume Properties
  Accessible surface: 680.867  Positive charged surface: 396.106  Negative charged surface: 280.19  Volume: 405.375
  Hydrophobic surface: 533.938  Hydrophilic surface: 146.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.