Molecular Properties | |
SMILES: | COc1ccc(C2CC(c3cccs3)=NN2S(=O)(=O)F)cc1OC |
MW: | 370.05 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 68.2 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogen_heteroatom
sulfonyl_halide
Acyl halides and analogues
Halogen-bonded heteroatoms
Filter2_acyl_phosphyl_sulfonyl_halide
Filter25_sulfonyl_halide
Filter47_so2f
sufonyl halide
acid halide
P/S halide
Hetero_hetero
P_or_S_Halides
Phosphorus_Halide
Sulphur_Halide
AAR-POS-d2a4d1df-1
JOH-MR_-42fa5481-1
0.736
MAT-POS-916a2c5a-1
0.582
JOH-MR_-42fa5481-5
0.562
JOH-MR_-42fa5481-7
0.562
NIM-UNI-13494739-3
0.561
JOH-MR_-42fa5481-4
0.536
JOH-MR_-42fa5481-6
0.505
MAR-LAB-ff9967db-37
0.484
TAT-ENA-80bfd3e5-9
0.478
NIM-UNI-13494739-4
0.478
NIM-UNI-13494739-1
0.462
JOH-MR_-42fa5481-14
0.459
JOH-MR_-42fa5481-10
0.427
JOH-MR_-42fa5481-3
0.400
MED-COV-4280ac29-30
0.398
JOH-MR_-42fa5481-9
0.385
JOH-MR_-42fa5481-12
0.380
JOH-MR_-42fa5481-11
0.366
JOH-MR_-42fa5481-13
0.362
MAR-LAB-ff9967db-36
0.360
JON-UNI-93996c9d-4
0.354
MAR-LAB-efb042c5-4
0.348
JON-UNI-93996c9d-12
0.348
JON-UNI-93996c9d-6
0.337
JON-UNI-93996c9d-7
0.333
MAR-LAB-efb042c5-3
0.326
NIM-UNI-13494739-9
0.325
NIM-UNI-13494739-10
0.300
JOH-MR_-42fa5481-8
0.295
JAR-KUA-8c13982c-19
0.289
MAR-TRE-e86a56b5-1
0.286
JON-UNI-93996c9d-11
0.281
JAR-KUA-8c13982c-11
0.277
UNK-UNK-2ede4078-84
0.260
DAR-DIA-8b715a25-6
0.260
MAR-TRE-4b834d9a-58
0.248
MAR-TRE-e86a56b5-7
0.248
UNK-UNK-2ede4078-68
0.247
MAR-TRE-74c6519b-46
0.245
MAK-UNK-7c9d1431-19
0.244
NIM-UNI-13494739-8
0.242
UNK-UNK-2ede4078-67
0.237
AGN-NEW-95323f67-3
0.236
AGN-NEW-9315dc74-6
0.236
UNK-UNK-2ede4078-58
0.236
AGN-NEW-9315dc74-2
0.236
AGN-NEW-95323f67-4
0.236
NIM-UNI-13494739-7
0.235
TAT-ENA-80bfd3e5-17
0.235
SAD-SAT-2fd372d1-1
0.233
MAR-TRE-36bf7dba-44
0.232
NIM-UNI-13494739-6
0.232
MAT-POS-b5746674-79
0.228
MAK-UNK-987948f6-15
0.227
MAR-TRE-2fd8122f-74
0.227
MAR-TRE-4b834d9a-98
0.226
DAR-DIA-8b715a25-2
0.224
DAR-DIA-8b715a25-4
0.224
JON-UNI-93996c9d-9
0.224
MAR-TRE-4b834d9a-68
0.221
JAR-KUA-8c13982c-12
0.221
MAR-TRE-e86a56b5-91
0.221
GAB-REV-4a4e2ff3-8
0.219
UNK-UNK-2ede4078-94
0.218
MAR-TRE-aca67d11-4
0.217
JON-UNI-bb9dc649-8
0.217
MAT-POS-b5746674-96
0.217
MAK-UNK-6435e6c2-1
0.217
LOR-NOR-30067bb9-7
0.216
SAD-SAT-2fd372d1-10
0.216
MAR-TRE-3159af1a-88
0.214
NAU-LAT-64f4b287-4
0.214
MAR-TRE-f5c2d31c-91
0.214
MAR-TRE-3724962b-28
0.213
MAK-UNK-69bf97dd-10
0.213
MAR-TRE-fd17a9b8-93
0.213
MAT-POS-b5746674-93
0.212
WIL-UNI-d4749f31-44
0.211
MAR-LAB-efb042c5-1
0.211
MAR-TRE-6a44bbf2-82
0.211
JON-UNI-bb9dc649-5
0.210
MAK-UNK-902cc841-7
0.210
MAT-POS-b5746674-89
0.209
JON-UNI-93996c9d-1
0.209
MAR-TRE-0fda4e82-82
0.208
MAR-TRE-fd17a9b8-47
0.208
MAT-POS-fa06b69f-7
0.208
TAT-ENA-80bfd3e5-45
0.208
MAR-TRE-6a44bbf2-52
0.207
MAR-TRE-d0525fbf-70
0.207
AAR-POS-d2a4d1df-22
0.207
LON-WEI-8f408cad-3
0.207
SAD-SAT-5b1897b2-5
0.207
PEI-IMP-668afc53-2
0.206
KEI-TRE-d5e2018a-80
0.206
KEI-TRE-d5e2018a-39
0.205
WIL-UNI-1faa9b10-44
0.204
MAT-POS-b5746674-94
0.204
MIK-MCD-8542a490-1
0.204
NAU-LAT-64f4b287-3
0.202