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CHEMSTAR-ZINC04119487

 MMsINC code: MMs01106470
Type: Neutral
Formula: C27H18ClNO5
SMILES:   Clc1cc(ccc1)C1OC2(C3C1C(=O)N(C3=O)c1ccc(cc1)C)C(=O)c1c(cccc1
)C2=O
InChI:   InChI=1/C27H18ClNO5/c1-14-9-11-17(12-10-14)29-25(32)20-21(26(29)33)27(34-22(20)15-5-4-6-16(28)13-15)23(30)18-7-2-3-8-19(18)24(27)31/h2-13,20-22H,1H3/t20-,21-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=109.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.896 g/mol  logS: -7.35068  SlogP: 4.43902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123852  Sterimol/B1: 3.46115  Sterimol/B2: 4.347  Sterimol/B3: 4.42296
  Sterimol/B4: 10.3631  Sterimol/L: 17.519 
 
 Surface and Volume Properties
  Accessible surface: 697.923  Positive charged surface: 332.185  Negative charged surface: 365.738  Volume: 413.375
  Hydrophobic surface: 593.072  Hydrophilic surface: 104.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.