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ENAMINE-ZINC06557959

 MMsINC code: MMs01673428
Type: Neutral
Formula: C18H19ClN4O4
SMILES:   Clc1ccccc1OCC(=O)NNC(=O)C(NC(=O)N)Cc1ccccc1
InChI:   InChI=1/C18H19ClN4O4/c19-13-8-4-5-9-15(13)27-11-16(24)22-23-17(25)14(21-18(20)26)10-12-6-2-1-3-7-12/h1-9,14H,10-11H2,(H,22,24)(H,23,25)(H3,20,21,26)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.827 g/mol  logS: -4.57576  SlogP: 1.14577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154147  Sterimol/B1: 2.92536  Sterimol/B2: 3.14288  Sterimol/B3: 3.24553
  Sterimol/B4: 7.65957  Sterimol/L: 20.4179 
 
 Surface and Volume Properties
  Accessible surface: 660.026  Positive charged surface: 360.476  Negative charged surface: 299.551  Volume: 346
  Hydrophobic surface: 457.91  Hydrophilic surface: 202.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.