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CHEMBRIDGE-ZINC01001160

 MMsINC code: MMs00651487
Type: Neutral
Formula: C27H19NO5
SMILES:   O1C2(C3C(C1c1ccccc1C)C(=O)N(C3=O)c1ccccc1)C(=O)c1c(cccc1)C2=
O
InChI:   InChI=1/C27H19NO5/c1-15-9-5-6-12-17(15)22-20-21(26(32)28(25(20)31)16-10-3-2-4-11-16)27(33-22)23(29)18-13-7-8-14-19(18)24(27)30/h2-14,20-22H,1H3/t20-,21-,22+/m0/s1

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Potential Energy
Epot(MMFF94)=121.534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.451 g/mol  logS: -6.61639  SlogP: 3.78562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170033  Sterimol/B1: 2.53248  Sterimol/B2: 5.62753  Sterimol/B3: 6.05656
  Sterimol/B4: 8.023  Sterimol/L: 15.0631 
 
 Surface and Volume Properties
  Accessible surface: 653.239  Positive charged surface: 345.315  Negative charged surface: 307.923  Volume: 396.25
  Hydrophobic surface: 552.492  Hydrophilic surface: 100.747
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.