Molecular Properties | |
SMILES: | N#C[C@@H]1[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O[C@H](n2ccc3cc(-c4ccccc4)ccc32)C1(F)F |
MW: | 594.02 |
Fraction sp3: | 0.25 |
HBA: | 9 |
HBD: | 4 |
Rotatable Bonds: | 9 |
TPSA: | 197.77 |
cLogP: | 4.32 |
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-65ab4b99-8
0.624
ASH-IND-65ab4b99-2
0.618
ASH-IND-65ab4b99-14
0.607
ASH-IND-65ab4b99-7
0.606
ASH-IND-65ab4b99-10
0.485
ASH-IND-65ab4b99-11
0.470
ASH-IND-65ab4b99-16
0.463
ASH-IND-65ab4b99-9
0.435
ASH-IND-65ab4b99-13
0.360
ASH-IND-65ab4b99-4
0.320
ASH-IND-65ab4b99-5
0.278
ASH-IND-65ab4b99-6
0.273
ASH-IND-65ab4b99-3
0.272
MAN-UBA-b9580c3f-1
0.255
ASH-IND-65ab4b99-12
0.237
ASH-IND-65ab4b99-15
0.236
MAR-UCB-195bc32d-51
0.210
ALP-POS-c0c213c9-8
0.197
MAT-POS-932d1078-6
0.192
VIK-UNK-2b2cc3cc-1
0.192
LUK-THE-533040b5-1
0.191
MAR-TRE-1c920f6f-73
0.189
LUK-UNK-e7d6e252-1
0.189
MAR-TRE-fffca54f-36
0.183
SHA-THE-408e7524-18
0.183
LUK-UNK-3fbaf2c5-1
0.180
LYN-UNI-0d9431a4-5
0.179
DRA-CSI-0a78d9ba-1
0.179
MAR-TRE-ebcc4ad6-5
0.177
SHA-THE-408e7524-20
0.177
RED-RED-10c9212c-17
0.176
LON-WEI-4d77710c-73
0.176
LON-WEI-5e7d1b3e-73
0.176
TAT-ENA-80bfd3e5-26
0.176
SHA-THE-408e7524-1
0.175
RAJ-NOV-842d5654-2
0.175
MAR-TRE-85681e92-17
0.175
VID-DNY-1d288c6c-10
0.175
SHA-THE-408e7524-21
0.174
DAR-DIA-3e9bbd81-13
0.174
RAJ-NOV-842d5654-3
0.174
SHA-THE-408e7524-19
0.173
ALP-POS-c59291d4-1
0.173
MAK-UNK-0955449e-32
0.173
LYN-UNI-7bb260d6-5
0.173
AAR-UNI-c25c2f1e-77
0.172
MAR-TRE-0fda4e82-84
0.172
DRA-CSI-7ec17797-1
0.171
BAR-COM-0f94fc3d-32
0.171
KOV-VNK-5e1a909f-20
0.170
JOH-UNI-522b0723-13
0.169
DRA-CSI-3ab97369-1
0.169
PET-UNK-6da3dcd8-10
0.169
MAT-POS-b5746674-118
0.168
ANT-OPE-7824651a-2
0.168
DAR-DIA-53551c05-2
0.168
UNK-CYC-68f84b31-24
0.167
SHA-THE-408e7524-13
0.166
ERI-UCB-ce40166b-9
0.165
MAR-TRE-14ce9fd6-48
0.165
ALP-POS-c56c1477-1
0.164
BRU-THA-4b053743-1
0.164
DRA-CSI-7ec17797-14
0.164
KOV-VNK-5e1a909f-4
0.164
DRA-CSI-3ab97369-10
0.164
MAR-TRE-4f781e27-98
0.164
MAT-POS-b5746674-123
0.164
MAR-TRE-a3327163-66
0.164
BAR-COM-4e090d3a-49
0.164
MAR-TRE-14ce9fd6-73
0.164
MAR-TRE-1c920f6f-81
0.164
MAR-TRE-14ce9fd6-34
0.164
JAN-GHE-bf40f168-8
0.163
KOV-VNK-5e1a909f-8
0.163
DRA-CSI-3ab97369-8
0.163
JOH-UNI-522b0723-9
0.163
MAR-TRE-0fda4e82-86
0.163
PET-UNK-6da3dcd8-7
0.162
KOV-VNK-5e1a909f-37
0.162
ERI-UCB-ce40166b-10
0.162
KOV-VNK-5e1a909f-12
0.162
JAN-GHE-bf40f168-5
0.162
MAD-UNK-b1ea4171-1
0.162
MAD-UNK-84a4f939-1
0.162
DAR-DIA-3e9bbd81-6
0.162
MAR-TRE-dab8f6ea-32
0.162
JOH-UNI-522b0723-12
0.162
MAT-POS-ea426761-2
0.162
ALP-POS-c56c1477-2
0.161
KOV-VNK-5e1a909f-13
0.161
KOV-VNK-5e1a909f-23
0.161
KOV-VNK-5e1a909f-10
0.161
MAR-TRE-14ce9fd6-61
0.160
JOH-UNI-522b0723-11
0.160
CLI-TLC-2cc8a57a-1
0.160
PET-UNK-2337ec19-1
0.160
PET-UNK-2337ec19-3
0.160
WAR-XCH-b6889685-51
0.160
MAR-TRE-4f39ef4a-3
0.160
KOV-VNK-5e1a909f-22
0.160