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NCID-ZINC05733540

 MMsINC code: MMs02492126
Type: Neutral
Formula: C34H18N4
SMILES:   n1c2c3c(c4c(c2nc2c1cc1nc5c6c(c7c(c5nc1c2)cccc7)cccc6)cccc4)c
ccc3
InChI:   InChI=1/C34H18N4/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)32-31(23)35-27-17-29-30(18-28(27)36-32)38-34-26-16-8-4-12-22(26)21-11-3-7-15-25(21)33(34)37-29/h1-18H

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Potential Energy
Epot(MMFF94)=212.115 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.546 g/mol  logS: -11.1258  SlogP: 8.4922  Reactive groups: 0
 
 Topological Properties
  Globularity: 8.02498e-08  Sterimol/B1: 2.097  Sterimol/B2: 2.10297  Sterimol/B3: 3.2748
  Sterimol/B4: 8.89142  Sterimol/L: 19.2972 
 
 Surface and Volume Properties
  Accessible surface: 742.641  Positive charged surface: 366.287  Negative charged surface: 332.07  Volume: 460.625
  Hydrophobic surface: 662.449  Hydrophilic surface: 80.192
 
 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.