Type: Neutral
Formula: C11H15N5O5
SMILES: |
O1C(C(O)C)C(O)C(O)C1n1c2N=C(NC(=O)c2nc1)N |
InChI: |
InChI=1/C11H15N5O5/c1-3(17)7-5(18)6(19)10(21-7)16-2-13-4-8(16)14-11(12)15-9(4)20/h2-3,5-7,10,17-19H,1H3,(H3,12,14,15,20)/t3-,5-,6+,7-,10-/m1/s1 |
MOE's Descriptors
Physical Properties | | | |
Molecular Weight: 297.271 g/mol | logS: -0.99287 | SlogP: -2.3318 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.110539 | Sterimol/B1: 2.45959 | Sterimol/B2: 2.75994 | Sterimol/B3: 5.03363 |
Sterimol/B4: 5.25944 | Sterimol/L: 13.8521 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 492.95 | Positive charged surface: 352.713 | Negative charged surface: 140.238 | Volume: 248.125 |
Hydrophobic surface: 175.209 | Hydrophilic surface: 317.741 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 7 | Acid groups: 0 | Basic groups: 0 |
Chiral centers: 5 | | | |
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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. | | | |