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NCID-ZINC05462384

 MMsINC code: MMs02464219
Type: Neutral
Formula: C15H29N3O5
SMILES:   OC(C(N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(O)=O)C
InChI:   InChI=1/C15H29N3O5/c1-7(2)6-10(15(22)23)17-14(21)12(8(3)4)18-13(20)11(16)9(5)19/h7-12,19H,6,16H2,1-5H3,(H,17,21)(H,18,20)(H,22,23)/t9-,10-,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=92.3179 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.413 g/mol  logS: -2.03772  SlogP: -0.5492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131544  Sterimol/B1: 2.31282  Sterimol/B2: 4.10826  Sterimol/B3: 4.42845
  Sterimol/B4: 8.61543  Sterimol/L: 14.4528 
 
 Surface and Volume Properties
  Accessible surface: 601.086  Positive charged surface: 405.954  Negative charged surface: 195.132  Volume: 324.125
  Hydrophobic surface: 299.591  Hydrophilic surface: 301.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02464220
NCID-ZINC05462384