logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05493427

 MMsINC code: MMs02466873
Type: Neutral
Formula: C10H17N4O6P
SMILES:   P(OCC1OC(N2C=C(C)C(=O)NC2=O)CC1O)(=O)(N)N
InChI:   InChI=1/C10H17N4O6P/c1-5-3-14(10(17)13-9(5)16)8-2-6(15)7(20-8)4-19-21(11,12)18/h3,6-8,15H,2,4H2,1H3,(H4,11,12,18)(H,13,16,17)/t6-,7-,8-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-54.5174 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.242 g/mol  logS: -0.43357  SlogP: -2.1102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101079  Sterimol/B1: 2.11336  Sterimol/B2: 3.13907  Sterimol/B3: 4.05288
  Sterimol/B4: 8.15205  Sterimol/L: 14.5129 
 
 Surface and Volume Properties
  Accessible surface: 533.927  Positive charged surface: 346.248  Negative charged surface: 187.68  Volume: 262.625
  Hydrophobic surface: 205.722  Hydrophilic surface: 328.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.