Molecular Properties | |
SMILES: | O=S(=O)(c1c(F)cccc1F)N1CCN(CCCl)CC1 |
MW: | 324.78 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 40.62 |
cLogP: | 1.5099 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Filter1_2_halo_ether
Filter84_nitrogen_mustard
mustards
Hetero_hetero
Alkyl Halide
JAG-SYN-9c2cd0bd-15
0.611
AAR-POS-d2a4d1df-32
0.571
LON-WEI-8f408cad-2
0.571
MAR-TRE-6a44bbf2-4
0.571
JAG-SYN-9c2cd0bd-2
0.544
BEN-DND-76ad4ac9-2
0.544
MAK-UNK-6435e6c2-6
0.537
MAK-UNK-10dfa458-27
0.517
JAG-SYN-9c2cd0bd-1
0.500
JAG-SYN-9c2cd0bd-13
0.492
BEN-DND-76ad4ac9-12
0.484
JAG-SYN-9c2cd0bd-12
0.468
NAU-LAT-64f4b287-1
0.403
JAG-SYN-9c2cd0bd-10
0.385
MAK-UNK-902cc841-9
0.367
SWA-SYN-d2e6fa14-4
0.366
SWA-SYN-6423ea73-4
0.366
MAK-UNK-3f402c2b-9
0.362
MAK-UNK-902cc841-10
0.358
JOE-SYG-2c9a1216-2
0.329
JOE-SYG-2c9a1216-3
0.321
JOE-SYG-2c9a1216-1
0.316
AAR-POS-d2a4d1df-34
0.304
MAR-TRE-6a44bbf2-8
0.304
AAR-POS-d2a4d1df-23
0.290
LON-WEI-8f408cad-4
0.290
BEN-DND-76ad4ac9-6
0.290
MAR-TRE-6a44bbf2-18
0.290
JAN-GHE-bf40f168-1
0.289
AHN-SAT-de2502ba-15
0.282
BEN-DND-76ad4ac9-11
0.280
PEI-IMP-ca0b2813-3
0.280
JAG-SYN-9c2cd0bd-9
0.275
SAD-SAT-bc31ec01-10
0.274
SAD-SAT-9a6c5cf3-10
0.268
NIM-UNI-05f93fcc-3
0.266
MAR-TRE-6a44bbf2-32
0.264
ABB-MCD-f8003a30-1
0.264
MAK-UNK-7c9d1431-10
0.264
IND-SYN-6c8299e8-2
0.263
BEN-DND-76ad4ac9-14
0.263
LON-WEI-8f408cad-3
0.261
AAR-POS-d2a4d1df-22
0.261
MAR-TRE-6a44bbf2-58
0.261
KAY-MCD-d0fe5261-1
0.261
MAR-TRE-6a44bbf2-52
0.261
BEN-DND-76ad4ac9-1
0.257
MAK-UNK-7c9d1431-12
0.257
AHN-SAT-de2502ba-6
0.257
MAR-TRE-6a44bbf2-43
0.257
NIM-UNI-05f93fcc-2
0.256
JON-UIO-066ce08b-6
0.256
DAN-MCD-50ec7d1f-1
0.254
TAT-ENA-80bfd3e5-43
0.253
MAR-TRE-6a44bbf2-65
0.253
MAK-UNK-7c9d1431-11
0.253
MAK-UNK-7c9d1431-8
0.250
MAK-UNK-10dfa458-29
0.250
MAK-UNK-7c9d1431-9
0.250
MAK-UNK-6435e6c2-5
0.250
AHN-SAT-de2502ba-5
0.250
MAR-TRE-6a44bbf2-26
0.250
MAR-TRE-6a44bbf2-21
0.250
MAK-UNK-7c9d1431-4
0.247
TAT-ENA-80bfd3e5-25
0.247
AAR-POS-d2a4d1df-44
0.246
MAC-MCD-4707377b-1
0.244
NIM-UNI-05f93fcc-11
0.244
SAD-SAT-3a925b8b-2
0.243
AAR-POS-0daf6b7e-15
0.243
NIM-UNI-05f93fcc-10
0.241
GIA-UNK-995df016-14
0.240
NIM-UNI-05f93fcc-1
0.239
SAD-SAT-2fd372d1-5
0.238
NIM-UNI-05f93fcc-14
0.237
NIM-UNI-310206f0-69
0.237
BEN-DND-76ad4ac9-10
0.237
JON-UIO-066ce08b-8
0.237
KEN-MCD-6084b33e-1
0.237
AAR-POS-d2a4d1df-37
0.237
MAR-TRE-6a44bbf2-7
0.237
DAN-MCD-5c762fbe-1
0.236
MAR-TRE-6a44bbf2-24
0.236
MAK-UNK-10dfa458-5
0.236
BEN-DND-76ad4ac9-13
0.234
TOB-UNK-c2aba166-4
0.233
BEN-DND-76ad4ac9-8
0.233
PEI-IMP-ca0b2813-1
0.233
MAK-UNK-7c9d1431-6
0.233
WAR-XCH-79d12f6e-3
0.232
NIM-UNI-05f93fcc-5
0.232
NIM-UNI-310206f0-67
0.232
JAN-GHE-bf40f168-7
0.231
NIM-UNI-05f93fcc-16
0.231
MAT-POS-b5746674-57
0.231
AHN-SAT-de2502ba-4
0.231
MAR-TRE-6a44bbf2-100
0.231
NIM-UNI-05f93fcc-17
0.229
JAN-GHE-bf40f168-3
0.229
MAT-POS-590ac91e-70
0.228