Molecular Properties | |
SMILES: | O=C(NCc1ccccc1)N1CCN(S(=O)(=O)F)CC1 |
MW: | 301.09 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.72 |
cLogP: | 0.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-26579439 |
Enamine SCR: | Z3637082751 |
Enamine Extended REAL: | m_2554____15796020____7343976 |
Mcule: | MCULE-2338858110 |
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
LON-WEI-8f408cad-4
SAD-SAT-2fd372d1-8
0.526
PAT-GYR-de8eec61-1
0.427
SAD-SAT-2fd372d1-7
0.403
PAT-GYR-de8eec61-4
0.389
GIA-UNK-3f36037a-6
0.388
SWA-SYN-d2e6fa14-7
0.377
SWA-SYN-6423ea73-7
0.377
SAD-SAT-2fd372d1-4
0.365
PAT-GYR-de8eec61-7
0.362
PAT-GYR-de8eec61-3
0.361
WIL-LEE-23e8b574-1
0.359
MAK-UNK-7c9d1431-23
0.358
MAR-TRE-6a44bbf2-28
0.358
SAD-SAT-2fd372d1-1
0.358
PAT-GYR-359dbb24-1
0.348
AAR-POS-d2a4d1df-21
0.348
NAU-LAT-f723e322-5
0.341
PAT-GYR-359dbb24-2
0.338
JOH-UNI-c7afdb96-15
0.333
GIA-UNK-3f36037a-5
0.333
DAN-MCD-5390ac8b-1
0.330
PAT-GYR-359dbb24-4
0.329
MAT-POS-b5746674-51
0.326
LUI-IND-2c46affe-3
0.325
BEN-DND-76ad4ac9-9
0.324
BEN-DND-03406596-1
0.324
SAD-SAT-2fd372d1-10
0.321
DAN-MCD-b3a5626f-1
0.318
DAN-MCD-1c3944e2-1
0.318
DAN-MCD-9b81d1fa-1
0.318
PAT-GYR-359dbb24-3
0.316
MAK-UNK-15efde89-1
0.314
MAR-TRE-6a44bbf2-21
0.313
NAU-LAT-64f4b287-9
0.313
MAK-UNK-7c9d1431-9
0.313
AHN-SAT-de2502ba-7
0.313
MAK-UNK-752736de-12
0.312
DRR-IMP-38dce17f-3
0.312
AAR-POS-0daf6b7e-44
0.312
MAK-UNK-7c9d1431-24
0.312
PAT-GYR-359dbb24-5
0.312
MAK-UNK-7c9d1431-27
0.310
MAR-TRE-0fda4e82-52
0.310
MAK-UNK-942dcb71-18
0.308
MAK-UNK-942dcb71-17
0.303
AAR-UNI-c25c2f1e-2
0.303
TAM-UNI-d1c3dd9f-12
0.301
DUN-NEW-f8ce3686-25
0.300
PAT-GYR-de8eec61-6
0.299
PAT-GYR-de8eec61-5
0.298
MAK-UNK-10dfa458-39
0.297
PAT-GYR-de8eec61-2
0.294
PEI-IMP-3d837503-4
0.294
AAR-POS-d2a4d1df-34
0.292
DRR-IMP-dff87f5e-5
0.292
MAR-TRE-6a44bbf2-8
0.292
MAR-TRE-66ac689e-43
0.291
LON-WEI-1908424e-1
0.289
SAD-SAT-1f400d17-1
0.288
MAK-UNK-af83ef51-2
0.288
WIL-UNI-1faa9b10-51
0.286
DRA-CSI-47e38074-7
0.284
SWA-SYN-6423ea73-2
0.284
SWA-SYN-d2e6fa14-2
0.284
NEL-UNI-1464a899-4
0.284
ANT-DIA-b7f58f21-4
0.283
AAR-UNI-c25c2f1e-35
0.282
DRA-CSI-47e38074-2
0.281
PEI-IMP-3d837503-2
0.279
RIC-ARG-a8e88843-4
0.279
MAK-UNK-10799360-2
0.279
MAT-POS-b5746674-110
0.278
DAR-DIA-03336633-8
0.278
MAR-TRE-6a44bbf2-9
0.276
DAV-IMP-59dd6621-27
0.276
YUN-WES-58b0dbae-2
0.274
YUN-WES-64c64eb2-1
0.274
MAR-TRE-3e4e6814-5
0.274
JAR-KUA-41bd5a3d-11
0.274
MAK-UNK-27459e11-12
0.273
DRA-CSI-47e38074-6
0.272
DRA-CSI-47e38074-3
0.271
TAM-UNI-d1c3dd9f-7
0.271
SIM-SYN-7db9eb24-1
0.271
DRA-CSI-47e38074-4
0.270
MAK-UNK-10dfa458-9
0.270
BEN-DND-03406596-9
0.269
BEN-DND-76ad4ac9-11
0.269
AHN-SAT-de2502ba-1
0.269
MAK-UNK-10799360-19
0.269
MAK-UNK-27459e11-3
0.269
BEN-DND-03ad4429-4
0.268
AAR-UNI-c25c2f1e-9
0.268
MAR-TRE-a3327163-36
0.267
MAR-TRE-f6f5f473-90
0.267
MAR-TRE-3e4e6814-84
0.267
MAR-SOS-c7881798-9
0.267
MAR-SOS-82e3a7c7-9
0.267
AAR-UNI-c25c2f1e-51
0.267
BEN-DND-362d364a-1
0.267