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CHEMDIV-ZINC06733158

 MMsINC code: MMs01004681
Type: Neutral
Formula: C20H20ClN3O3
SMILES:   Clc1cc2NC(=O)N(CCCC(=O)NCCc3ccccc3)C(=O)c2cc1
InChI:   InChI=1/C20H20ClN3O3/c21-15-8-9-16-17(13-15)23-20(27)24(19(16)26)12-4-7-18(25)22-11-10-14-5-2-1-3-6-14/h1-3,5-6,8-9,13H,4,7,10-12H2,(H,22,25)(H,23,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.8282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.851 g/mol  logS: -4.65183  SlogP: 3.46677  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474669  Sterimol/B1: 2.82852  Sterimol/B2: 3.16645  Sterimol/B3: 4.76553
  Sterimol/B4: 5.59861  Sterimol/L: 21.9787 
 
 Surface and Volume Properties
  Accessible surface: 669.436  Positive charged surface: 376.404  Negative charged surface: 293.031  Volume: 354.75
  Hydrophobic surface: 527  Hydrophilic surface: 142.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.