Molecular Properties | |
SMILES: | C[C@]1(O)[C@@H](n2ccc3cc(-c4ccccc4)ccc32)O[C@@](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)(c2cc3ccc(F)c(O)c3[nH]2)[C@H]1C#N |
MW: | 737.07 |
Fraction sp3: | 0.21 |
HBA: | 11 |
HBD: | 7 |
Rotatable Bonds: | 10 |
TPSA: | 254.02 |
cLogP: | 5.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_2_free_phos
phosphor
Acid anhydrides and analogues
Phosphoric anhydrides
alkyl esters of S or P
S/PO3 groups
di/triphosphate
Phosphoric acid
Phosphoric ester
ASH-IND-65ab4b99-14
0.511
ASH-IND-65ab4b99-10
0.500
ASH-IND-65ab4b99-1
0.470
ASH-IND-65ab4b99-16
0.432
ASH-IND-65ab4b99-8
0.429
ASH-IND-65ab4b99-7
0.419
ASH-IND-65ab4b99-2
0.415
ASH-IND-65ab4b99-9
0.409
ASH-IND-65ab4b99-15
0.340
ASH-IND-65ab4b99-3
0.285
ASH-IND-65ab4b99-6
0.277
ASH-IND-65ab4b99-12
0.273
ASH-IND-65ab4b99-5
0.272
ASH-IND-65ab4b99-13
0.249
ASH-IND-65ab4b99-4
0.217
MAT-POS-13080fc6-6
0.183
ALP-POS-d054b76b-5
0.183
MAT-POS-b4d6b7fc-1
0.182
PET-UNK-c6bcc80b-2
0.182
PET-UNK-c6bcc80b-9
0.182
ALP-POS-6f6ae286-5
0.182
EDJ-MED-7889e8da-1
0.182
BEN-DND-f06bfa8e-2
0.182
EDJ-MED-0186a59b-1
0.182
ALP-POS-f13221e1-1
0.181
AMY-UNI-7a9b5e6e-1
0.178
MAT-POS-2e8b2191-6
0.178
PET-UNK-6da3dcd8-15
0.177
PET-UNK-2337ec19-1
0.176
PET-UNK-2337ec19-3
0.176
MAT-POS-2e8b2191-10
0.176
PET-UNK-9bf1291a-4
0.176
PET-UNK-7fb4f80a-3
0.175
ALP-POS-d054b76b-6
0.175
PET-UNK-6da3dcd8-5
0.174
PET-UNK-7fb4f80a-4
0.174
VLA-UCB-05e51b3f-20
0.173
VLA-UCB-05e51b3f-19
0.173
VLA-UCB-50c39ae8-12
0.173
VLA-UCB-50c39ae8-13
0.173
ALP-POS-d7944b10-15
0.173
ALP-POS-c0c213c9-8
0.173
DRA-CSI-0a78d9ba-1
0.172
DAR-DIA-9e4459de-16
0.172
PET-UNK-0d6841fa-3
0.172
EDJ-MED-7889e8da-5
0.172
MAT-POS-97ec4bd1-3
0.172
ALP-POS-6479a3a9-4
0.172
EDJ-MED-0186a59b-3
0.172
LYN-UNI-0d9431a4-5
0.171
BAR-COM-0f94fc3d-18
0.171
ALP-POS-6479a3a9-1
0.171
ALP-POS-d7944b10-3
0.171
VLA-UCB-34f3ed0c-1
0.171
RAL-THA-4aa06b95-5
0.171
ALP-POS-6f6ae286-6
0.171
ALP-POS-d7944b10-9
0.171
MAT-POS-c88128cb-7
0.171
BEN-DND-f06bfa8e-3
0.171
PET-UNK-c6bcc80b-7
0.170
DAR-DIA-9e4459de-11
0.170
EDJ-MED-ede277f6-4
0.170
LUK-THE-533040b5-1
0.169
ALP-UNI-dbbfd3db-8
0.169
MAR-TRE-14ce9fd6-51
0.169
RED-RED-10c9212c-17
0.169
THO-SYG-cc9e9a11-3
0.169
MIC-UNK-df9dcda8-2
0.169
RAL-THA-4aa06b95-3
0.169
ALP-POS-6479a3a9-5
0.169
PET-UNK-c6bcc80b-8
0.169
PET-UNK-c6bcc80b-1
0.169
PET-UNK-c6bcc80b-5
0.169
PET-UNK-c6bcc80b-12
0.169
KAD-UNI-877d7bed-7
0.168
KAD-UNI-877d7bed-3
0.168
EDJ-MED-1981ceba-4
0.168
BEN-DND-a88ffd65-2
0.168
EDJ-MED-4f4dd660-1
0.168
BAR-COM-4e090d3a-10
0.167
MAT-POS-4223bc15-23
0.167
MAT-POS-8293a91a-4
0.167
BEN-DND-32596b04-8
0.167
TRY-UNI-2eddb1ff-6
0.167
MAR-TRE-1c920f6f-81
0.167
VLA-UNK-9a7dc93f-2
0.167
RAL-THA-901e9a10-3
0.167
MAT-POS-8293a91a-5
0.167
EDJ-MED-4f4dd660-3
0.166
PET-UNK-757f8bc8-5
0.166
DRA-CSI-7ec17797-1
0.166
DRA-CSI-3ab97369-8
0.166
MAT-POS-29385cc1-2
0.166
AAR-UNI-c25c2f1e-77
0.166
MAT-POS-932d1078-6
0.165
PET-UNK-c6bcc80b-4
0.165
EDJ-MED-378a25ea-16
0.165
VIK-UNK-2b2cc3cc-1
0.165
PET-UNK-c6bcc80b-11
0.165
EDJ-MED-378a25ea-15
0.165