Type: Neutral
Formula: C8H14N3O6P
SMILES: |
P1(=O)(NC(=O)N(C=C1)C1OC(CO)C(O)C1O)N |
InChI: |
InChI=1/C8H14N3O6P/c9-18(16)2-1-11(8(15)10-18)7-6(14)5(13)4(3-12)17-7/h1-2,4-7,12-14H,3H2,(H3,9,10,15,16)/t4-,5+,6+,7+,18+/m0/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 279.189 g/mol | logS: 1.03935 | SlogP: -2.9966 | Reactive groups: 0 |
| | | |
Topological Properties | | | |
Globularity: 0.121197 | Sterimol/B1: 2.76859 | Sterimol/B2: 3.50698 | Sterimol/B3: 4.16221 |
Sterimol/B4: 5.64283 | Sterimol/L: 11.6764 | | | |
| | | |
Surface and Volume Properties | | | |
Accessible surface: 440.484 | Positive charged surface: 285.135 | Negative charged surface: 155.349 | Volume: 214.75 |
Hydrophobic surface: 121.433 | Hydrophilic surface: 319.051 | | |
| | | |
Pharmacophoric Properties | | | |
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 6 | 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 | |
|
search links for this molecule: |
|
|
|
|
Ions/Tautomers related molecules: no related molecules available. | | | |