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IBS-ZINC02140596

 MMsINC code: MMs01794857
Type: Neutral
Formula: C14H22N2O7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCC(=O)N)(C)C
InChI:   InChI=1/C14H22N2O7/c1-13(2)20-7-8(21-13)10-12(23-14(3,4)22-10)19-9(7)11(18)16-5-6(15)17/h7-10,12H,5H2,1-4H3,(H2,15,17)(H,16,18)/t7-,8+,9-,10-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=103.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.337 g/mol  logS: -2.50288  SlogP: -1.0156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791767  Sterimol/B1: 2.33264  Sterimol/B2: 2.46136  Sterimol/B3: 4.30155
  Sterimol/B4: 8.15761  Sterimol/L: 15.5515 
 
 Surface and Volume Properties
  Accessible surface: 541.177  Positive charged surface: 369.672  Negative charged surface: 171.505  Volume: 287.875
  Hydrophobic surface: 268.074  Hydrophilic surface: 273.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.