Molecular Properties | |
SMILES: | O=S(=O)(c1ccccc1)N1CCN(CC2CO2)CC1 |
MW: | 282.1 |
Fraction sp3: | 0.54 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 53.15 |
cLogP: | 0.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CH2_S#O_3_ring
Three-membered heterocycle
Three-membered heterocycles
Filter40_epoxide_aziridine
epoxides
Hetero_hetero
Three_Membered_Heterocycle
MAK-UNK-7c9d1431-9
PEI-IMP-3d837503-3
0.473
GIA-UNK-5ec6c2b8-4
0.464
PEI-IMP-3d837503-4
0.458
MAR-TRE-6a44bbf2-21
0.458
MAK-UNK-7c9d1431-9
0.458
GIA-UNK-eaadd1d4-2
0.444
PEI-IMP-3d837503-2
0.441
GIA-UNK-eaadd1d4-3
0.424
PEI-IMP-3d837503-1
0.391
JAR-KUA-41bd5a3d-4
0.386
GIA-UNK-595fac82-4
0.379
SCO-CSI-071a6f1c-1
0.329
MAR-TRE-fd17a9b8-74
0.329
SIM-SYN-a98e6a07-1
0.322
BEN-DND-7e92b6ca-7
0.321
HIR-FOR-a67ea703-1
0.319
MAT-POS-590ac91e-56
0.318
MAT-POS-590ac91e-57
0.318
ANT-OPE-7824651a-2
0.314
MAR-TRE-04c86cea-46
0.312
MAT-POS-590ac91e-58
0.306
MAK-UNK-c74072e5-8
0.300
SCO-CSI-e56d7cb6-1
0.299
PEI-IMP-ca0b2813-3
0.293
PEI-IMP-e4a008a2-1
0.292
CLI-UNI-032f7715-4
0.290
MAR-TRE-6a44bbf2-78
0.290
MAK-UNK-7c9d1431-13
0.290
SCO-CSI-e30c12ee-1
0.289
MAR-TRE-6a44bbf2-18
0.286
DRA-CSI-3ab97369-1
0.286
DAN-MCD-5c762fbe-1
0.286
DAN-MCD-50ec7d1f-1
0.286
MAT-POS-b5746674-57
0.286
BEN-DND-76ad4ac9-6
0.286
LON-WEI-8f408cad-4
0.286
AAR-POS-d2a4d1df-23
0.286
BEN-DND-03406596-10
0.286
MAK-UNK-6435e6c2-5
0.284
MAK-UNK-7c9d1431-17
0.282
PEI-IMP-ca0b2813-1
0.282
JAR-KUA-41bd5a3d-19
0.279
JAG-SYN-9c2cd0bd-11
0.279
DRR-IMP-dff87f5e-3
0.279
AAR-POS-d2a4d1df-44
0.279
SAD-SAT-2fd372d1-6
0.279
WAR-XCH-b6889685-10
0.278
JAR-IMP-ed466bb3-4
0.278
JAG-SYN-9c2cd0bd-15
0.275
MAR-LAB-efb042c5-5
0.275
MAR-TRE-6a44bbf2-68
0.275
MAR-TRE-6a44bbf2-58
0.275
KAY-MCD-d0fe5261-1
0.275
AAR-POS-d2a4d1df-27
0.275
DRR-IMP-dff87f5e-7
0.275
DRR-IMP-dff87f5e-1
0.275
SAD-SAT-3a925b8b-2
0.275
PEI-IMP-ca0b2813-2
0.275
BEN-DND-03ad4429-4
0.275
MAT-POS-b5746674-56
0.271
DRA-CSI-3ab97369-7
0.269
KEN-MCD-4729dc98-1
0.269
MAK-UNK-10dfa458-5
0.268
BEN-DND-03ad4429-3
0.268
MAR-TRE-6a44bbf2-65
0.267
KEN-MCD-6084b33e-1
0.267
MAK-UNK-7c9d1431-11
0.267
TAT-ENA-80bfd3e5-43
0.267
ROD-UFR-9b69e111-1
0.266
MAT-POS-b5746674-55
0.265
MAK-UNK-10dfa458-29
0.264
TOB-UNK-c2aba166-4
0.264
DRR-IMP-dff87f5e-6
0.264
DRR-IMP-dff87f5e-9
0.264
MAK-UNK-7c9d1431-6
0.264
DRR-IMP-dff87f5e-8
0.260
DRR-IMP-dff87f5e-2
0.260
BEN-DND-76ad4ac9-14
0.260
IND-SYN-6c8299e8-2
0.260
MAK-UNK-7c9d1431-3
0.260
BEN-DND-03406596-3
0.260
SAD-SAT-f2e2579e-5
0.259
KEI-TRE-d5e2018a-38
0.258
BEN-DND-03ad4429-1
0.258
MAR-TRE-6a44bbf2-89
0.257
SAD-SAT-2fd372d1-5
0.254
BEN-DND-76ad4ac9-1
0.254
SAD-SAT-b55127ae-5
0.254
MAK-UNK-7c9d1431-22
0.253
SIM-SYN-3099a863-2
0.253
SAD-SAT-9a6c5cf3-5
0.253
WAR-XCH-b6889685-11
0.250
HUB-UNK-9845d277-12
0.250
BEN-DND-03406596-8
0.250
ROD-LAS-d5538ff9-8
0.250
SAD-SAT-f2e2579e-10
0.250
MAK-UNK-c74072e5-1
0.247
ROD-UFR-87309d29-1
0.247
MAK-UNK-a7992eb3-22
0.247
BAP-BUY-55f8bcae-1
0.247