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PUBCHEM-ZINC06691913

 MMsINC code: MMs03839472
Type: Neutral
Formula: C16H30N3O5PS
SMILES:   S1CC2NC(=O)NC2C1CCCCC(=O)NCCCCCCO[PH](O)=O
InChI:   InChI=1/C16H30N3O5PS/c20-14(17-9-5-1-2-6-10-24-25(22)23)8-4-3-7-13-15-12(11-26-13)18-16(21)19-15/h12-13,15,25H,1-11H2,(H,17,20)(H,22,23)(H2,18,19,21)/t12-,13-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=4.73155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.472 g/mol  logS: -2.64776  SlogP: 0.7172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0152142  Sterimol/B1: 2.41666  Sterimol/B2: 2.44198  Sterimol/B3: 4.24828
  Sterimol/B4: 6.18089  Sterimol/L: 25.6259 
 
 Surface and Volume Properties
  Accessible surface: 736.086  Positive charged surface: 513.092  Negative charged surface: 222.994  Volume: 373.625
  Hydrophobic surface: 438.068  Hydrophilic surface: 298.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.