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NCID-ZINC05888694

 MMsINC code: MMs02510272
Type: Neutral
Formula: C18H28FN5O9
SMILES:   FC1=CN(C(=O)NCCCCCCNC(=O)NC2C(O)C(O)C(OC2O)CO)C(=O)NC1=O
InChI:   InChI=1/C18H28FN5O9/c19-9-7-24(18(32)23-14(9)28)17(31)21-6-4-2-1-3-5-20-16(30)22-11-13(27)12(26)10(8-25)33-15(11)29/h7,10-13,15,25-27,29H,1-6,8H2,(H,21,31)(H2,20,22,30)(H,23,28,32)/t10-,11-,12+,13-,15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.446 g/mol  logS: -1.10775  SlogP: -2.1729  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0160632  Sterimol/B1: 3.13429  Sterimol/B2: 3.3855  Sterimol/B3: 3.83612
  Sterimol/B4: 5.31147  Sterimol/L: 26.3144 
 
 Surface and Volume Properties
  Accessible surface: 773.102  Positive charged surface: 539.842  Negative charged surface: 233.26  Volume: 404
  Hydrophobic surface: 373.042  Hydrophilic surface: 400.06
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.