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ENAMINE-ZINC02655350

 MMsINC code: MMs01278451
Type: Neutral
Formula: C18H14ClF2N3O2
SMILES:   Clc1ccccc1NC(=O)C1C(NC(=O)NC1=C)c1ccc(F)cc1F
InChI:   InChI=1/C18H14ClF2N3O2/c1-9-15(17(25)23-14-5-3-2-4-12(14)19)16(24-18(26)22-9)11-7-6-10(20)8-13(11)21/h2-8,15-16H,1H2,(H,23,25)(H2,22,24,26)/t15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.6766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.778 g/mol  logS: -5.16001  SlogP: 3.8362  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112774  Sterimol/B1: 2.45533  Sterimol/B2: 2.54851  Sterimol/B3: 6.22427
  Sterimol/B4: 6.28299  Sterimol/L: 16.7038 
 
 Surface and Volume Properties
  Accessible surface: 559.891  Positive charged surface: 263.24  Negative charged surface: 296.651  Volume: 314.75
  Hydrophobic surface: 432.721  Hydrophilic surface: 127.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.