Molecular Properties | |
SMILES: | O=S(=O)(NC(CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1F |
MW: | 366.08 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 82.19 |
cLogP: | 2.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Hetero_hetero
MAR-UCB-195bc32d-18
0.432
CUN-WAB-25b584ee-1
0.366
MAR-TRE-f5c2d31c-47
0.364
NIC-BIO-3276ca7f-7
0.359
MAR-TRE-74c6519b-79
0.351
YIA-UNI-71f25a82-2
0.343
SAN-PRS-3c4a6997-2
0.341
NIC-BIO-3276ca7f-2
0.340
MAR-TRE-4f39ef4a-5
0.340
MAR-UCB-195bc32d-22
0.337
MAR-TRE-85681e92-33
0.337
SAL-INS-68b48d12-10
0.333
MAR-TRE-4f781e27-69
0.333
MAR-UCB-195bc32d-9
0.333
NJA-MAN-b9fb953f-5
0.333
YIA-UNI-71f25a82-1
0.330
SUN-WAB-e274cdaf-1
0.330
MAR-TRE-4f39ef4a-9
0.330
MAR-TRE-4f781e27-6
0.330
BRU-UNI-248b30bc-8
0.328
CUN-WAB-25b584ee-2
0.318
SAL-INS-68b48d12-9
0.315
ANT-OPE-ab37bd51-2
0.315
SAL-INS-68b48d12-8
0.313
SAL-INS-68b48d12-6
0.310
MAR-TRE-fd17a9b8-35
0.309
SAL-INS-68b48d12-7
0.307
JOH-MSK-a63bdd1d-10
0.300
SAL-INS-68b48d12-5
0.299
AAR-UNI-c25c2f1e-29
0.293
GAB-REV-df64cf17-18
0.293
ABI-SAT-30e287c1-2
0.287
MAR-TRE-85681e92-69
0.284
MAT-POS-162a9720-8
0.284
MAR-TRE-85681e92-53
0.283
MAR-TRE-fd17a9b8-10
0.282
FEL-WAB-fb168420-2
0.282
AAR-UNI-c25c2f1e-34
0.278
MAR-TRE-fd17a9b8-18
0.278
MAR-TRE-85681e92-68
0.276
NAU-LAT-81109c57-1
0.274
MAR-TRE-85681e92-60
0.273
ALP-POS-a3de0cb1-15
0.272
MAR-TRE-36bf7dba-27
0.270
MAR-TRE-b77b7921-67
0.270
NIM-UNI-310206f0-31
0.267
AAR-POS-d2a4d1df-2
0.267
NAU-LAT-81109c57-8
0.263
MAK-UNK-10572812-2
0.262
AAR-UNI-c25c2f1e-73
0.262
RED-RED-10c9212c-42
0.262
LON-WEI-4d77710c-20
0.261
LON-WEI-5e7d1b3e-20
0.261
MAR-TRE-85681e92-64
0.260
FEL-WAB-fb168420-3
0.259
MAK-UNK-be5ffcbc-8
0.258
MAR-UCB-195bc32d-45
0.257
AAR-UNI-c25c2f1e-72
0.257
MAR-TRE-36bf7dba-21
0.257
MAR-TRE-f6f5f473-6
0.256
NIM-UNI-310206f0-49
0.256
MAR-TRE-36bf7dba-26
0.255
RED-RED-10c9212c-33
0.252
ALP-POS-8ed8d9ec-6
0.250
AAR-UNI-c25c2f1e-26
0.250
JIN-POS-6dc588a4-5
0.250
DAR-DIA-eace69ff-36
0.250
MAR-TRE-4f39ef4a-26
0.250
ALP-POS-8ed8d9ec-2
0.248
MAR-TRE-799db12b-12
0.248
IAN-BAS-8ad3d156-1
0.243
MAT-POS-ea426761-94
0.243
MAR-TRE-4f39ef4a-50
0.243
BRU-UNI-248b30bc-12
0.241
MAR-TRE-fd17a9b8-25
0.240
SAN-PRS-3c4a6997-4
0.239
NIC-BIO-b40446ce-2
0.239
JOH-MEM-5e386bbd-7
0.238
MAR-TRE-74c6519b-68
0.238
MAR-TRE-fd17a9b8-1
0.237
WIL-UNI-1faa9b10-27
0.237
WIL-UNI-1faa9b10-38
0.235
GAB-REV-70cc3ca5-17
0.235
MAR-TRE-7f7bb9f0-83
0.234
MAK-UNK-be5ffcbc-3
0.234
MAR-TRE-f5c2d31c-8
0.234
MAR-UCB-195bc32d-4
0.233
MAK-UNK-37f1d6fa-2
0.232
BUT-SEX-9e782cc8-1
0.232
WIL-UNI-d4749f31-4
0.231
MAK-UNK-10572812-9
0.231
LON-WEI-1908424e-9
0.229
MAR-TRE-92684b97-10
0.226
MAR-TRE-4f781e27-96
0.224
WIL-UNI-1faa9b10-42
0.224
WIL-UNI-1faa9b10-45
0.224
FRA-LAB-04e32718-1
0.224
MAK-UNK-37f1d6fa-3
0.224
GAB-REV-4a4e2ff3-15
0.223
MAK-UNK-37f1d6fa-1
0.223