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CHEMBLOCK-ZINC03671914

 MMsINC code: MMs00540216
Type: Neutral
Formula: C21H23ClN2O2
SMILES:   Clc1ccccc1NC(=O)C1CC(=O)N(C1)c1ccc(cc1)CCCC
InChI:   InChI=1/C21H23ClN2O2/c1-2-3-6-15-9-11-17(12-10-15)24-14-16(13-20(24)25)21(26)23-19-8-5-4-7-18(19)22/h4-5,7-12,16H,2-3,6,13-14H2,1H3,(H,23,26)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.4299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.88 g/mol  logS: -6.01852  SlogP: 4.67417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240554  Sterimol/B1: 2.17324  Sterimol/B2: 4.08196  Sterimol/B3: 4.57827
  Sterimol/B4: 5.24032  Sterimol/L: 21.7114 
 
 Surface and Volume Properties
  Accessible surface: 656.409  Positive charged surface: 389.409  Negative charged surface: 267  Volume: 357.25
  Hydrophobic surface: 568.17  Hydrophilic surface: 88.239
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.