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CHEMBLOCK-ZINC04782824

 MMsINC code: MMs00579362
Type: Neutral
Formula: C19H24Cl2N2O
SMILES:   Clc1cc(NC(=O)NCCC2C3CC4CC2CC(C3)C4)ccc1Cl
InChI:   InChI=1/C19H24Cl2N2O/c20-17-2-1-15(10-18(17)21)23-19(24)22-4-3-16-13-6-11-5-12(8-13)9-14(16)7-11/h1-2,10-14,16H,3-9H2,(H2,22,23,24)/t11-,12+,13-,14+,16-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.32 g/mol  logS: -7.75661  SlogP: 5.5773  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0608284  Sterimol/B1: 3.07961  Sterimol/B2: 3.54177  Sterimol/B3: 4.34709
  Sterimol/B4: 4.84373  Sterimol/L: 18.6704 
 
 Surface and Volume Properties
  Accessible surface: 601.102  Positive charged surface: 367.249  Negative charged surface: 233.853  Volume: 338.75
  Hydrophobic surface: 536.527  Hydrophilic surface: 64.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.