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PUBCHEM-ZINC00204183

 MMsINC code: MMs02639088
Type: Neutral
Formula: C16H17FN2O3
SMILES:   FC1=CN(C2OCCC2)C(=O)N(Cc2ccccc2C)C1=O
InChI:   InChI=1/C16H17FN2O3/c1-11-5-2-3-6-12(11)9-19-15(20)13(17)10-18(16(19)21)14-7-4-8-22-14/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.3276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.321 g/mol  logS: -3.40788  SlogP: 3.08192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131052  Sterimol/B1: 2.51683  Sterimol/B2: 3.04666  Sterimol/B3: 5.56049
  Sterimol/B4: 6.04007  Sterimol/L: 14.5361 
 
 Surface and Volume Properties
  Accessible surface: 512.8  Positive charged surface: 305.518  Negative charged surface: 207.282  Volume: 274.875
  Hydrophobic surface: 433.677  Hydrophilic surface: 79.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.