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NANOSIN-ZINC01882183

 MMsINC code: MMs02199645
Type: Neutral
Formula: C24H16ClNO2
SMILES:   Clc1cc(C(=O)c2ccccc2)c(\N=C\c2c3c(ccc2O)cccc3)cc1
InChI:   InChI=1/C24H16ClNO2/c25-18-11-12-22(20(14-18)24(28)17-7-2-1-3-8-17)26-15-21-19-9-5-4-6-16(19)10-13-23(21)27/h1-15,27H/b26-15+

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Potential Energy
Epot(MMFF94)=119.692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.85 g/mol  logS: -7.63265  SlogP: 6.1804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.208768  Sterimol/B1: 2.58718  Sterimol/B2: 3.05715  Sterimol/B3: 6.58422
  Sterimol/B4: 9.38413  Sterimol/L: 15.4299 
 
 Surface and Volume Properties
  Accessible surface: 623.021  Positive charged surface: 297.123  Negative charged surface: 315.895  Volume: 361.75
  Hydrophobic surface: 558.586  Hydrophilic surface: 64.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.