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IBS-ZINC02358218

 MMsINC code: MMs01842448
Type: Neutral
Formula: C25H24N4O5
SMILES:   O(C)c1ccc(cc1)C1=Nc2c(cccc2)C(=O)N1NC(=O)CN1C(=O)C2C(CCCC2)C
1=O
InChI:   InChI=1/C25H24N4O5/c1-34-16-12-10-15(11-13-16)22-26-20-9-5-4-8-19(20)25(33)29(22)27-21(30)14-28-23(31)17-6-2-3-7-18(17)24(28)32/h4-5,8-13,17-18H,2-3,6-7,14H2,1H3,(H,27,30)/t17-,18+

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Potential Energy
Epot(MMFF94)=107.982 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.49 g/mol  logS: -5.88674  SlogP: 2.4357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0457933  Sterimol/B1: 2.5422  Sterimol/B2: 3.69151  Sterimol/B3: 3.73005
  Sterimol/B4: 13.5305  Sterimol/L: 17.1122 
 
 Surface and Volume Properties
  Accessible surface: 714.292  Positive charged surface: 464.302  Negative charged surface: 249.99  Volume: 418.75
  Hydrophobic surface: 573.801  Hydrophilic surface: 140.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.