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NCID-ZINC04353452

 MMsINC code: MMs02383810
Type: Neutral
Formula: C10H5F7O3
SMILES:   FC(F)(C(F)(F)C(F)(F)F)C(=O)\C=C(/O)\c1occc1
InChI:   InChI=1/C10H5F7O3/c11-8(12,9(13,14)10(15,16)17)7(19)4-5(18)6-2-1-3-20-6/h1-4,18H/b5-4-

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Potential Energy
Epot(MMFF94)=49.3455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.133 g/mol  logS: -4.11093  SlogP: 4.8402  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0481696  Sterimol/B1: 3.09362  Sterimol/B2: 3.4751  Sterimol/B3: 3.53641
  Sterimol/B4: 4.7402  Sterimol/L: 13.7213 
 
 Surface and Volume Properties
  Accessible surface: 424.905  Positive charged surface: 110.922  Negative charged surface: 313.984  Volume: 200.75
  Hydrophobic surface: 168.753  Hydrophilic surface: 256.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02383812
NCID-ZINC04353452


MMs02383811
NCID-ZINC04353452


MMs02383814
NCID-ZINC04353452


MMs02383813
NCID-ZINC04353452