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CHEMDIV-ZINC00629053

 MMsINC code: MMs00855967
Type: Neutral
Formula: C30H22N2O4
SMILES:   O=C1N(c2ccc(cc2C)C)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(c2ccc(cc2C)
C)C1=O
InChI:   InChI=1/C30H22N2O4/c1-15-5-11-23(17(3)13-15)31-27(33)19-7-9-21-26-22(10-8-20(25(19)26)28(31)34)30(36)32(29(21)35)24-12-6-16(2)14-18(24)4/h5-14H,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.53 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.516 g/mol  logS: -9.27896  SlogP: 5.67468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545346  Sterimol/B1: 3.62271  Sterimol/B2: 4.75817  Sterimol/B3: 4.83903
  Sterimol/B4: 4.84104  Sterimol/L: 22.3391 
 
 Surface and Volume Properties
  Accessible surface: 726.206  Positive charged surface: 385.865  Negative charged surface: 329.833  Volume: 447
  Hydrophobic surface: 632.456  Hydrophilic surface: 93.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.