Molecular Properties | |
SMILES: | O=S(=O)(c1c(F)cccc1F)N1CCN(CB(O)O)CC1 |
MW: | 320.126 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 81.08 |
cLogP: | -0.7169 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
boron_warhead
heavy metal
Activated haloaromatics
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Hetero_hetero
JAG-SYN-9c2cd0bd-11
0.611
JAG-SYN-9c2cd0bd-13
0.586
MAK-UNK-6435e6c2-6
0.556
JAG-SYN-9c2cd0bd-1
0.544
JAG-SYN-9c2cd0bd-2
0.534
AAR-POS-d2a4d1df-32
0.534
MAR-TRE-6a44bbf2-4
0.534
LON-WEI-8f408cad-2
0.534
BEN-DND-76ad4ac9-2
0.508
MAK-UNK-10dfa458-27
0.508
JAG-SYN-9c2cd0bd-12
0.484
BEN-DND-03406596-2
0.455
BEN-DND-76ad4ac9-12
0.455
NAU-LAT-64f4b287-1
0.417
SWA-SYN-d2e6fa14-4
0.395
SWA-SYN-6423ea73-4
0.395
MAK-UNK-902cc841-9
0.380
JAG-SYN-9c2cd0bd-10
0.379
MAK-UNK-902cc841-10
0.370
MAK-UNK-3f402c2b-9
0.338
JOE-SYG-2c9a1216-2
0.325
DRR-IMP-dff87f5e-4
0.323
JOE-SYG-2c9a1216-3
0.316
JOE-SYG-2c9a1216-1
0.296
JAG-SYN-9c2cd0bd-14
0.290
JAN-GHE-bf40f168-1
0.286
MAR-TRE-6a44bbf2-8
0.282
AAR-POS-d2a4d1df-34
0.282
DRR-IMP-dff87f5e-5
0.282
PEI-IMP-ca0b2813-3
0.276
PEI-IMP-3d837503-5
0.275
AAR-POS-d2a4d1df-23
0.268
BEN-DND-03406596-10
0.268
MAR-TRE-6a44bbf2-18
0.268
DAN-MCD-50ec7d1f-1
0.268
DAN-MCD-5c762fbe-1
0.268
LON-WEI-8f408cad-4
0.268
BEN-DND-03ad4429-3
0.268
BEN-DND-76ad4ac9-6
0.268
MAK-UNK-10dfa458-5
0.268
MAK-UNK-6435e6c2-5
0.265
NIM-UNI-05f93fcc-3
0.263
AHN-SAT-de2502ba-15
0.260
BEN-DND-03406596-9
0.260
BEN-DND-76ad4ac9-11
0.260
SAD-SAT-9a6c5cf3-10
0.250
KEN-MCD-6084b33e-1
0.250
MAK-UNK-10dfa458-29
0.247
WAR-XCH-79d12f6e-3
0.246
BEN-DND-03406596-3
0.244
IND-SYN-6c8299e8-2
0.244
BEN-DND-76ad4ac9-14
0.244
ABB-MCD-f8003a30-1
0.243
MAR-TRE-6a44bbf2-32
0.243
MAK-UNK-7c9d1431-10
0.243
DRR-IMP-dff87f5e-8
0.243
SAD-SAT-bc31ec01-10
0.241
KAY-MCD-d0fe5261-1
0.239
MAR-TRE-6a44bbf2-52
0.239
AAR-POS-d2a4d1df-22
0.239
BEN-DND-03ad4429-7
0.239
LON-WEI-8f408cad-3
0.239
DRR-IMP-dff87f5e-1
0.239
MAR-TRE-6a44bbf2-58
0.239
DRR-IMP-db50bf6e-5
0.239
MAK-UNK-10dfa458-4
0.239
BEN-DND-03ad4429-1
0.239
ALE-MCD-a1893bfb-1
0.239
ELV-MCD-e78941c9-1
0.238
NIM-UNI-05f93fcc-2
0.237
KAT-UNK-b2a0d5b1-1
0.237
AHN-SAT-de2502ba-6
0.237
MAR-TRE-6a44bbf2-43
0.237
BEN-DND-76ad4ac9-1
0.236
MAK-UNK-7c9d1431-12
0.236
MAK-UNK-6435e6c2-1
0.235
SAD-SAT-2fd372d1-5
0.234
TAT-ENA-80bfd3e5-43
0.234
MAK-UNK-7c9d1431-11
0.234
MAR-TRE-6a44bbf2-65
0.234
PEI-IMP-3d837503-2
0.232
MAR-TRE-fd17a9b8-74
0.232
AHN-SAT-de2502ba-5
0.231
PEI-IMP-ca0b2813-1
0.230
IND-SYN-6c8299e8-7
0.229
DRR-IMP-38dce17f-1
0.229
PEI-IMP-3d837503-4
0.229
MAR-TRE-6a44bbf2-21
0.229
MAK-UNK-7c9d1431-9
0.229
TAT-ENA-80bfd3e5-25
0.228
MAK-UNK-7c9d1431-4
0.228
MAT-POS-b5746674-57
0.227
ANT-OPE-7824651a-2
0.227
ZAC-MCD-2bc172dc-1
0.227
MAT-POS-590ac91e-70
0.226
MAT-POS-590ac91e-68
0.226
DRR-IMP-dff87f5e-3
0.225
AAR-POS-d2a4d1df-44
0.225
MAC-MCD-4707377b-1
0.225
NIM-UNI-05f93fcc-11
0.225