Molecular Properties | |
SMILES: | C#C[C@]1(F)[C@@H](n2ccc3cc(-c4ccccc4)ccc32)O[C@@](C)(CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@H]1c1n[nH]c([C@@H]2[C@H]3CCO[C@@H]23)n1 |
MW: | 738.11 |
Fraction sp3: | 0.38 |
HBA: | 11 |
HBD: | 5 |
Rotatable Bonds: | 11 |
TPSA: | 224.78 |
cLogP: | 4.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_2_free_phos
phosphor
triple bond
Acid anhydrides and analogues
Phosphoric anhydrides
alkyl esters of S or P
S/PO3 groups
di/triphosphate
Phosphoric acid
Phosphoric ester
triple_bond
ASH-IND-65ab4b99-16
0.592
ASH-IND-65ab4b99-10
0.507
ASH-IND-65ab4b99-14
0.496
ASH-IND-65ab4b99-1
0.435
ASH-IND-65ab4b99-11
0.409
ASH-IND-65ab4b99-2
0.383
ASH-IND-65ab4b99-8
0.376
ASH-IND-65ab4b99-7
0.368
ASH-IND-65ab4b99-12
0.274
ASH-IND-65ab4b99-6
0.270
ASH-IND-65ab4b99-3
0.268
ASH-IND-65ab4b99-5
0.265
ASH-IND-65ab4b99-13
0.265
ASH-IND-65ab4b99-15
0.217
ASH-IND-65ab4b99-4
0.204
VLA-UNK-c3e99b7a-8
0.193
LYN-UNI-0d9431a4-5
0.191
ALP-POS-c0c213c9-8
0.190
MAR-TRE-dab8f6ea-5
0.188
MAR-TRE-dab8f6ea-46
0.184
KAD-UNI-877d7bed-3
0.183
DRA-CSI-0a78d9ba-1
0.182
RAL-THA-065e0743-2
0.180
SAD-SAT-29425be4-4
0.179
PET-UNK-757f8bc8-2
0.179
MAR-TRE-f6f5f473-87
0.179
ALF-EVA-650655fc-7
0.179
PET-UNK-757f8bc8-10
0.177
ALV-UNI-7ff1a6f9-22
0.176
KAD-UNI-877d7bed-15
0.176
VLA-UCB-05e51b3f-19
0.176
VLA-UCB-50c39ae8-12
0.176
DRA-CSI-7ec17797-1
0.176
MAR-TRE-dab8f6ea-32
0.175
PET-UNK-cf04cb02-1
0.175
ERI-UCB-ce40166b-10
0.175
MAK-UNK-de9577cf-21
0.174
MAR-TRE-c317dd82-32
0.174
MAK-UNK-de9577cf-19
0.174
MAR-TRE-7f7bb9f0-31
0.173
KAD-UNI-877d7bed-13
0.173
JOH-IMS-0780e8d1-3
0.173
DAR-DIA-0587064e-16
0.173
KUS-THE-322b9b63-14
0.173
KAD-UNI-877d7bed-11
0.172
MAT-POS-ea426761-90
0.172
ERI-UCB-ce40166b-9
0.171
MAK-UNK-148caf23-18
0.171
MAK-UNK-a7992eb3-3
0.170
MAR-TRE-d0525fbf-53
0.170
MAK-UNK-ec98eaf6-11
0.170
MAR-TRE-f6f5f473-67
0.170
MAK-UNK-0955449e-15
0.170
MAT-POS-9ff17035-1
0.170
MAK-UNK-8fdbca50-23
0.169
ALF-EVA-650655fc-6
0.169
MAK-UNK-8fdbca50-10
0.169
AAR-UNI-c25c2f1e-70
0.169
DRA-CSI-3ab97369-8
0.169
ALF-EVA-650655fc-2
0.169
PET-UNK-7955f415-4
0.169
PET-UNK-7955f415-2
0.169
KAD-UNI-877d7bed-12
0.169
PAU-UNI-6d15a9f5-7
0.168
MAK-UNK-8fdbca50-6
0.168
MAT-POS-ea426761-35
0.168
DAR-DIA-eace69ff-3
0.168
MIC-UNK-ea4eb352-7
0.168
EDJ-MED-4f704dc9-1
0.168
MAR-TRE-74c6519b-96
0.168
MAT-POS-b5746674-73
0.168
ALF-EVA-0b412456-6
0.168
JOH-MSK-4bb3d434-5
0.168
BEN-BAS-43e7cce2-1
0.168
DAV-UNI-bdcebb58-2
0.168
LON-WEI-b8d98729-5
0.168
KAD-UNI-877d7bed-2
0.168
MAK-UNK-8fdbca50-19
0.168
MAK-UNK-de9577cf-16
0.167
ALF-EVA-650655fc-4
0.167
EDJ-MED-76744c27-2
0.167
EDJ-MED-76744c27-7
0.167
MAK-UNK-0955449e-9
0.167
MAR-TRE-3e4e6814-74
0.167
JOH-UNI-522b0723-13
0.167
AAR-UNI-c25c2f1e-60
0.167
DRA-CSI-0a78d9ba-2
0.167
DRA-CSI-3ab97369-1
0.167
MAK-UNK-8fdbca50-25
0.166
DAV-CRI-f9b12666-1
0.166
LUK-THE-533040b5-1
0.166
KAD-UNI-877d7bed-17
0.166
KAD-UNI-877d7bed-20
0.166
UNK-CYC-68f84b31-55
0.166
ALF-EVA-650655fc-1
0.166
VLA-UNK-c3e99b7a-4
0.166
DAR-DIA-ecdbc7dd-17
0.166
MAT-POS-3b92565d-3
0.166
EDJ-MED-7320d5d2-1
0.166
ALP-POS-3b848b35-2
0.166