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PUBCHEM-ZINC06412151

 MMsINC code: MMs03715357
Type: Neutral
Formula: C24H35N3O4
SMILES:   O=C1NC(C)C(CC)C(Cc2cc(cc(c2)C)C)=C1NC(=O)CNC(OC(C)(C)C)=O
InChI:   InChI=1/C24H35N3O4/c1-8-18-16(4)26-22(29)21(19(18)12-17-10-14(2)9-15(3)11-17)27-20(28)13-25-23(30)31-24(5,6)7/h9-11,16,18H,8,12-13H2,1-7H3,(H,25,30)(H,26,29)(H,27,28)/t16-,18+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.479 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.561 g/mol  logS: -5.59983  SlogP: 3.28541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857717  Sterimol/B1: 2.02923  Sterimol/B2: 3.63088  Sterimol/B3: 6.71602
  Sterimol/B4: 8.28435  Sterimol/L: 17.4504 
 
 Surface and Volume Properties
  Accessible surface: 734.738  Positive charged surface: 490.03  Negative charged surface: 244.707  Volume: 435.75
  Hydrophobic surface: 516.215  Hydrophilic surface: 218.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.