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SIAL-ZINC03150129

 MMsINC code: MMs03915480
Type: Neutral
Formula: C15H24N2O5
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C15H24N2O5/c1-15(2,3)22-14(21)17-9-4-6-10(17)12(18)16-8-5-7-11(16)13(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=67.4873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.366 g/mol  logS: -1.88275  SlogP: 1.4615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973998  Sterimol/B1: 1.98481  Sterimol/B2: 4.82078  Sterimol/B3: 5.00899
  Sterimol/B4: 6.85681  Sterimol/L: 14.3628 
 
 Surface and Volume Properties
  Accessible surface: 550.032  Positive charged surface: 407.272  Negative charged surface: 142.76  Volume: 300.25
  Hydrophobic surface: 397.518  Hydrophilic surface: 152.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs03915481
SIAL-ZINC03150129