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CHEMSTAR-ZINC04018002

 MMsINC code: MMs01088429
Type: Neutral
Formula: C18H21ClF2N2O
SMILES:   Clc1cc(F)c(F)cc1NC(=O)N(C)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C18H21ClF2N2O/c1-23(17(24)22-16-6-15(21)14(20)5-13(16)19)18-7-10-2-11(8-18)4-12(3-10)9-18/h5-6,10-12H,2-4,7-9H2,1H3,(H,22,24)/t10-,11+,12-,18-

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Potential Energy
Epot(MMFF94)=70.4496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.828 g/mol  logS: -5.47293  SlogP: 5.0507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958149  Sterimol/B1: 2.09169  Sterimol/B2: 3.22491  Sterimol/B3: 4.4161
  Sterimol/B4: 7.11619  Sterimol/L: 14.867 
 
 Surface and Volume Properties
  Accessible surface: 536.208  Positive charged surface: 330.572  Negative charged surface: 205.636  Volume: 309.25
  Hydrophobic surface: 523.46  Hydrophilic surface: 12.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.