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IBS-ZINC02501889

 MMsINC code: MMs01869292
Type: Neutral
Formula: C18H30N2O7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCC(=O)NCCCC)(C)C
InChI:   InChI=1/C18H30N2O7/c1-6-7-8-19-10(21)9-20-15(22)13-11-12(25-17(2,3)24-11)14-16(23-13)27-18(4,5)26-14/h11-14,16H,6-9H2,1-5H3,(H,19,21)(H,20,22)/t11-,12+,13+,14-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=82.562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.445 g/mol  logS: -3.44109  SlogP: 0.4154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541663  Sterimol/B1: 3.6601  Sterimol/B2: 4.52816  Sterimol/B3: 4.64821
  Sterimol/B4: 6.14762  Sterimol/L: 20.5801 
 
 Surface and Volume Properties
  Accessible surface: 679.829  Positive charged surface: 480.699  Negative charged surface: 199.13  Volume: 363
  Hydrophobic surface: 429.834  Hydrophilic surface: 249.995
 
 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.