Molecular Properties | |
SMILES: | COC1=C(F)CN(Cc2nnc(C)s2)c2cc(S(N)(=O)=O)ccc21 |
MW: | 370.06 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 98.41 |
cLogP: | 1.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic C=C-O
Dye 22
AAR-POS-d2a4d1df-1
NAU-LAT-42d4957e-4
0.471
PET-SGC-c4a91520-1
0.358
SAD-SAT-cefd50cc-9
0.337
NAU-LAT-42d4957e-6
0.330
MAK-UNK-8145c7a0-5
0.288
MAK-UNK-8145c7a0-6
0.283
AAR-POS-d2a4d1df-8
0.282
MAK-UNK-8145c7a0-4
0.278
MAK-UNK-8145c7a0-7
0.269
MAK-UNK-0b1cbb06-5
0.253
JAC-UNI-8d446b52-1
0.245
KUS-THE-322b9b63-22
0.243
IND-SYN-8f867502-2
0.241
MAK-UNK-0b1cbb06-4
0.239
IND-SYN-058869ff-1
0.239
IND-SYN-8f867502-3
0.239
LIZ-THE-6efed59f-2
0.237
IND-SYN-8f867502-1
0.236
LIZ-THE-6efed59f-3
0.230
WIL-WAB-1289c0dd-2
0.229
MAK-UNK-0b1cbb06-3
0.228
AAR-POS-d2a4d1df-4
0.227
NAU-LAT-42d4957e-2
0.223
DAR-DIA-37454fd7-3
0.223
PET-SGC-6a1b02a9-1
0.222
DUN-NEW-f8ce3686-14
0.222
DAR-DIA-37454fd7-2
0.220
DAR-DIA-caba39e3-10
0.220
WAR-XCH-b6889685-21
0.220
PET-SGC-abcbce68-1
0.220
MAK-UNK-9a6be56d-32
0.220
WAL-WAB-c1441da0-2
0.219
GER-UNI-05c7e912-1
0.219
TAM-UNI-c140e31a-14
0.218
TAM-UNI-c140e31a-6
0.218
MAK-UNK-9a6be56d-29
0.218
LIZ-THE-6efed59f-1
0.218
GAB-REV-df64cf17-17
0.218
SAD-SAT-5b1897b2-7
0.217
MAR-TRE-6a44bbf2-33
0.217
ASH-UNK-40b46b30-18
0.217
WAL-WAB-9cbe20c2-2
0.217
CHR-SOS-70e4c98a-7
0.217
LIZ-THE-d3ff4653-1
0.217
MAK-UNK-9a6be56d-21
0.216
CHR-SOS-70e4c98a-12
0.216
PET-SGC-210d4c30-1
0.216
WAR-XCH-b6889685-16
0.216
CHR-UNK-b46452fc-1
0.215
CHR-UNK-e061132b-1
0.215
FRA-DIA-3f9ae552-1
0.215
MAK-UNK-9a6be56d-10
0.214
MAK-UNK-9a6be56d-24
0.214
MAK-UNK-9a6be56d-12
0.214
HAR-NEW-e34cb1ae-6
0.214
WAR-XCH-b72a1bbc-45
0.214
CHR-SOS-70e4c98a-11
0.214
MAK-UNK-0b1cbb06-2
0.213
CHR-SOS-70e4c98a-2
0.213
HAR-NEW-e34cb1ae-5
0.213
CHR-SOS-70e4c98a-9
0.213
WAR-XCH-b6889685-19
0.212
MAK-UNK-9a6be56d-17
0.212
MAK-UNK-8145c7a0-11
0.212
MAT-POS-b5746674-76
0.211
WAR-XCH-b72a1bbc-23
0.211
MAK-UNK-9a6be56d-1
0.211
MAK-UNK-9a6be56d-8
0.211
MAK-UNK-9a6be56d-11
0.211
MAK-UNK-9a6be56d-22
0.211
MAT-POS-b5746674-77
0.210
CHR-SOS-70e4c98a-4
0.209
TAM-UNI-c140e31a-12
0.209
PET-UNK-c6bcc80b-6
0.209
MAK-UNK-9a6be56d-2
0.209
MAK-UNK-9a6be56d-14
0.209
MAK-UNK-9a6be56d-16
0.209
MAK-UNK-9a6be56d-30
0.209
MAK-UNK-9a6be56d-31
0.209
PET-UNK-c6bcc80b-13
0.209
MAK-UNK-9a6be56d-15
0.209
WIL-UNI-1faa9b10-22
0.208
JOK-SYG-ac99ed27-1
0.208
MAK-UNK-8145c7a0-10
0.207
LIZ-THE-d3ff4653-2
0.207
JON-UIO-d28d79fe-4
0.207
DAR-DIA-37454fd7-1
0.206
MAK-UNK-9a6be56d-18
0.206
PET-SGC-481b48b7-1
0.206
WIL-UNI-1faa9b10-13
0.206
WAR-XCH-b6889685-18
0.206
JAN-GHE-1d98ec1c-5
0.206
NAU-LAT-42d4957e-3
0.206
WIL-UNI-1faa9b10-49
0.206
SAD-SAT-f25ee457-7
0.206
MAK-UNK-8145c7a0-12
0.205
TAM-UNI-c140e31a-4
0.205
PET-SGC-05cff2e1-1
0.205
MAK-UNK-de9577cf-17
0.205
WAR-XCH-b72a1bbc-47
0.204