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ASINEX-ZINC03152615

 MMsINC code: MMs00287053
Type: Neutral
Formula: C14H27N3O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N)CO
InChI:   InChI=1/C14H27N3O5/c1-8(2)6-9(11(15)19)16-12(20)10(7-18)17-13(21)22-14(3,4)5/h8-10,18H,6-7H2,1-5H3,(H2,15,19)(H,16,20)(H,17,21)/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=57.9277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.386 g/mol  logS: -2.62957  SlogP: -0.1118  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600064  Sterimol/B1: 2.02947  Sterimol/B2: 3.43563  Sterimol/B3: 4.73992
  Sterimol/B4: 6.65396  Sterimol/L: 16.7947 
 
 Surface and Volume Properties
  Accessible surface: 593.592  Positive charged surface: 415.156  Negative charged surface: 178.436  Volume: 308.75
  Hydrophobic surface: 299.38  Hydrophilic surface: 294.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.