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NCID-ZINC05080788

 MMsINC code: MMs02437329
Type: Neutral
Formula: C26H34N4O4
SMILES:   O1C=2C(=Nc3c1c(ccc3C(=O)NCCC(C)C)C)C(C(=O)NCCC(C)C)=C(N)C(=O
)C=2C
InChI:   InChI=1/C26H34N4O4/c1-13(2)9-11-28-25(32)17-8-7-15(5)23-20(17)30-21-18(26(33)29-12-10-14(3)4)19(27)22(31)16(6)24(21)34-23/h7-8,13-14H,9-12,27H2,1-6H3,(H,28,32)(H,29,33)

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Potential Energy
Epot(MMFF94)=116.734 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.582 g/mol  logS: -7.29879  SlogP: 3.46762  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0573823  Sterimol/B1: 2.52748  Sterimol/B2: 3.04312  Sterimol/B3: 4.83142
  Sterimol/B4: 13.0974  Sterimol/L: 18.2306 
 
 Surface and Volume Properties
  Accessible surface: 799.919  Positive charged surface: 562.154  Negative charged surface: 237.765  Volume: 461
  Hydrophobic surface: 565.056  Hydrophilic surface: 234.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.