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CHEMDIV-ZINC06899705

 MMsINC code: MMs01058284
Type: Neutral
Formula: C23H24ClFN2O2
SMILES:   Clc1cc(F)ccc1Cn1c2c(cccc2)c(CNC2CCCCC2)c1C(O)=O
InChI:   InChI=1/C23H24ClFN2O2/c24-20-12-16(25)11-10-15(20)14-27-21-9-5-4-8-18(21)19(22(27)23(28)29)13-26-17-6-2-1-3-7-17/h4-5,8-12,17,26H,1-3,6-7,13-14H2,(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.4266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.908 g/mol  logS: -5.69992  SlogP: 6.1354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680146  Sterimol/B1: 2.45747  Sterimol/B2: 3.77135  Sterimol/B3: 3.89852
  Sterimol/B4: 8.99428  Sterimol/L: 17.764 
 
 Surface and Volume Properties
  Accessible surface: 642.242  Positive charged surface: 374.405  Negative charged surface: 263.804  Volume: 384.5
  Hydrophobic surface: 549.216  Hydrophilic surface: 93.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.