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PUBCHEM-ZINC01620573

 MMsINC code: MMs02816472
Type: Neutral
Formula: C26H15ClN2O2
SMILES:   Clc1ccc(N2C(=O)c3c(ccc4c5c(n(c34)-c3ccccc3)cccc5)C2=O)cc1
InChI:   InChI=1/C26H15ClN2O2/c27-16-10-12-18(13-11-16)29-25(30)21-15-14-20-19-8-4-5-9-22(19)28(17-6-2-1-3-7-17)24(20)23(21)26(29)31/h1-15H

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Potential Energy
Epot(MMFF94)=132.032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.871 g/mol  logS: -8.34733  SlogP: 6.2377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0298362  Sterimol/B1: 2.47593  Sterimol/B2: 3.39537  Sterimol/B3: 3.42517
  Sterimol/B4: 10.1467  Sterimol/L: 18.4054 
 
 Surface and Volume Properties
  Accessible surface: 635.892  Positive charged surface: 294.145  Negative charged surface: 330.478  Volume: 382.25
  Hydrophobic surface: 592.226  Hydrophilic surface: 43.666
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.