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ASINEX-ZINC04998777

 MMsINC code: MMs00427909
Type: Neutral
Formula: C15H18ClFN2O3
SMILES:   Clc1cc(NC(=O)C2CC(=O)N(C2)C(COC)C)ccc1F
InChI:   InChI=1/C15H18ClFN2O3/c1-9(8-22-2)19-7-10(5-14(19)20)15(21)18-11-3-4-13(17)12(16)6-11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,18,21)/t9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.9735 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.771 g/mol  logS: -2.93991  SlogP: 2.301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516823  Sterimol/B1: 2.03863  Sterimol/B2: 3.24191  Sterimol/B3: 4.69737
  Sterimol/B4: 5.44351  Sterimol/L: 17.3523 
 
 Surface and Volume Properties
  Accessible surface: 560.763  Positive charged surface: 358.398  Negative charged surface: 202.365  Volume: 292.375
  Hydrophobic surface: 486.987  Hydrophilic surface: 73.776
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.