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PUBCHEM-ZINC03629300

 MMsINC code: MMs03026901
Type: Neutral
Formula: C10H12F2N2O4
SMILES:   FC1(F)CC(OC1CO)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C10H12F2N2O4/c1-5-3-14(9(17)13-8(5)16)7-2-10(11,12)6(4-15)18-7/h3,6-7,15H,2,4H2,1H3,(H,13,16,17)/t6-,7-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.2734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.212 g/mol  logS: -1.19879  SlogP: 0.6045  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107038  Sterimol/B1: 2.93182  Sterimol/B2: 3.3111  Sterimol/B3: 3.99542
  Sterimol/B4: 4.71905  Sterimol/L: 12.9113 
 
 Surface and Volume Properties
  Accessible surface: 430.304  Positive charged surface: 248.496  Negative charged surface: 181.809  Volume: 207.875
  Hydrophobic surface: 207.855  Hydrophilic surface: 222.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.