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NCID-ZINC05733078

 MMsINC code: MMs02491933
Type: Neutral
Formula: C15H25N3O5
SMILES:   OC(=O)C1N(CCC1)C(=O)C(NC(=O)C(NC(=O)C)C(C)C)C
InChI:   InChI=1/C15H25N3O5/c1-8(2)12(17-10(4)19)13(20)16-9(3)14(21)18-7-5-6-11(18)15(22)23/h8-9,11-12H,5-7H2,1-4H3,(H,16,20)(H,17,19)(H,22,23)/t9-,11-,12+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.6599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.381 g/mol  logS: -1.6158  SlogP: -0.2726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0996021  Sterimol/B1: 2.50668  Sterimol/B2: 3.85249  Sterimol/B3: 4.05101
  Sterimol/B4: 6.11388  Sterimol/L: 16.0838 
 
 Surface and Volume Properties
  Accessible surface: 573.157  Positive charged surface: 386.004  Negative charged surface: 187.153  Volume: 312
  Hydrophobic surface: 345.949  Hydrophilic surface: 227.208
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02491934
NCID-ZINC05733078