Molecular Properties | |
SMILES: | C[C@]1(F)[C@H](n2ccc3cc(-c4ccccc4)ccc32)O[C@](C#N)(CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@H]1c1n[nH]c([C@@H]2[C@H]3CCC[C@H]32)n1 |
MW: | 737.12 |
Fraction sp3: | 0.41 |
HBA: | 11 |
HBD: | 5 |
Rotatable Bonds: | 11 |
TPSA: | 239.34 |
cLogP: | 5.59 |
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-65ab4b99-9
0.592
ASH-IND-65ab4b99-14
0.538
ASH-IND-65ab4b99-10
0.464
ASH-IND-65ab4b99-1
0.463
ASH-IND-65ab4b99-11
0.432
ASH-IND-65ab4b99-2
0.409
ASH-IND-65ab4b99-8
0.401
ASH-IND-65ab4b99-7
0.393
ASH-IND-65ab4b99-6
0.291
ASH-IND-65ab4b99-13
0.283
ASH-IND-65ab4b99-5
0.277
ASH-IND-65ab4b99-12
0.277
ASH-IND-65ab4b99-3
0.272
ASH-IND-65ab4b99-15
0.241
ASH-IND-65ab4b99-4
0.222
ALP-POS-c0c213c9-8
0.200
DRA-CSI-0a78d9ba-1
0.191
RAJ-NOV-842d5654-2
0.190
VLA-UNK-c3e99b7a-8
0.188
LYN-UNI-0d9431a4-5
0.186
DRA-CSI-0a78d9ba-4
0.180
MAK-UNK-0955449e-32
0.179
DRA-CSI-7ec17797-1
0.178
NAU-LAT-ec9c7557-3
0.178
DRA-CSI-0a78d9ba-2
0.176
DRA-CSI-3ab97369-1
0.176
KAD-UNI-877d7bed-17
0.174
ERI-UCB-ce40166b-9
0.173
DRA-CSI-0a78d9ba-3
0.173
MAK-UNK-a7992eb3-3
0.172
MAR-TRE-f6f5f473-67
0.172
VLA-UCB-05e51b3f-19
0.171
VLA-UCB-50c39ae8-12
0.171
DRA-CSI-3ab97369-8
0.171
MAT-POS-ea426761-2
0.170
ERI-UCB-ce40166b-10
0.170
ADA-UCB-dc2b944c-2
0.169
ALP-POS-d7944b10-3
0.169
ALP-POS-6479a3a9-1
0.169
ALP-POS-d7944b10-9
0.169
SHA-THE-408e7524-1
0.168
MAT-POS-b5746674-118
0.168
DAR-DIA-53551c05-2
0.168
MAR-TRE-f5c2d31c-32
0.168
DAV-CRI-f9b12666-1
0.168
LUK-THE-533040b5-1
0.168
SAD-SAT-29425be4-4
0.167
DRA-CSI-0a78d9ba-12
0.167
UNK-CYC-68f84b31-24
0.167
LUK-UNK-3fbaf2c5-1
0.166
BEN-DND-a88ffd65-2
0.166
VID-DNY-1d288c6c-10
0.166
MAR-TRE-0fda4e82-65
0.165
DAV-CRI-f9b12666-2
0.165
ALP-POS-bb8a3193-6
0.165
DRA-CSI-7ec17797-14
0.165
DRA-CSI-0a78d9ba-5
0.165
DRA-CSI-7ec17797-13
0.165
MAR-TRE-dab8f6ea-46
0.165
SAD-SAT-24589cd1-10
0.165
UNK-CYC-68f84b31-41
0.165
MAR-TRE-4f781e27-98
0.165
MAK-UNK-0955449e-15
0.164
ALP-POS-bb8a3193-4
0.164
ED_-GRI-5b13fbe2-50
0.164
J__-UNK-6ae33026-1
0.164
MAR-TRE-9c797165-47
0.164
MAR-TRE-04c86cea-82
0.163
AAR-UNI-c25c2f1e-70
0.163
SHA-THE-408e7524-18
0.163
SHA-THE-408e7524-20
0.163
MAT-POS-932d1078-6
0.163
VIK-UNK-2b2cc3cc-1
0.163
ALP-POS-bb8a3193-8
0.163
ALP-POS-6479a3a9-4
0.163
DAR-DIA-48c639f7-1
0.163
MAK-UNK-c749d764-3
0.163
MAK-UNK-a7992eb3-26
0.163
DAR-DIA-eace69ff-3
0.163
MAR-TRE-dab8f6ea-32
0.163
VIJ-CYC-1a381570-4
0.163
DRA-CSI-3ab97369-2
0.163
ALP-POS-c56c1477-2
0.162
MAT-POS-2e8b2191-6
0.162
MAR-TRE-b77b7921-19
0.162
DRA-CSI-3ab97369-9
0.161
DAR-DIA-03336633-14
0.161
ALP-POS-bb8a3193-5
0.161
PET-UNK-2337ec19-1
0.161
PET-UNK-2337ec19-3
0.161
ALP-POS-d7944b10-11
0.161
KAD-UNI-877d7bed-3
0.161
SHA-THE-408e7524-19
0.161
MAT-POS-b5746674-86
0.161
LUK-UNK-e7d6e252-1
0.160
MAR-TRE-c8530538-29
0.160
JOH-IMS-0780e8d1-3
0.160
LON-WEI-5e7d1b3e-76
0.160
LON-WEI-4d77710c-76
0.160
ALP-POS-bb8a3193-9
0.160