Molecular Properties | |
SMILES: | O=C(CCl)NCc1ccccc1S(=O)(=O)N1CCOCC1 |
MW: | 332.06 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 75.71 |
cLogP: | 0.56 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-28297 |
Enamine SCR: | Z258588352 |
Enamine REAL: | Z397585758 |
Mcule: | MCULE-7219914156 |
MolPort: | MolPort-005-311-331 |
Hetero_hetero
LON-WEI-8f408cad-3
SAD-SAT-65574d3f-8
1.000
MAR-TRE-6a44bbf2-20
1.000
AHN-SAT-de2502ba-2
0.733
MAR-TRE-6a44bbf2-30
0.733
MAK-UNK-69bf97dd-6
0.635
MAR-TRE-799db12b-64
0.611
SAD-SAT-135344c3-1
0.587
MAR-TRE-6a44bbf2-34
0.551
MAK-UNK-69bf97dd-8
0.487
MAK-UNK-69bf97dd-7
0.475
MAR-TRE-66ac689e-47
0.468
SAD-SAT-135344c3-3
0.450
AHN-SAT-de2502ba-13
0.427
MAR-TRE-6a44bbf2-83
0.427
MAR-TRE-6a44bbf2-42
0.410
AHN-SAT-de2502ba-4
0.395
MAR-TRE-6a44bbf2-100
0.395
AHN-SAT-de2502ba-16
0.382
AHN-SAT-de2502ba-9
0.377
MAR-TRE-2fd8122f-35
0.374
TAM-UNI-d1c3dd9f-21
0.373
MAK-UNK-7c9d1431-12
0.361
MAR-TRE-6a44bbf2-67
0.360
JUA-UNI-b93289a4-3
0.357
MAR-TRE-fd17a9b8-62
0.357
SAD-SAT-f0a2747f-7
0.356
AAR-POS-d2a4d1df-34
0.351
DRR-IMP-dff87f5e-5
0.351
MAR-TRE-6a44bbf2-8
0.351
MAR-TRE-6a44bbf2-63
0.346
JUA-UNI-b93289a4-2
0.342
MAR-TRE-2fd8122f-94
0.326
SAD-SAT-f0a2747f-5
0.325
BEN-DND-76ad4ac9-11
0.325
BEN-DND-03406596-9
0.325
SAD-SAT-2ceae68f-9
0.321
NIR-THE-99f25457-3
0.321
MAK-UNK-69bf97dd-3
0.319
AAR-POS-d2a4d1df-37
0.316
MAR-TRE-6a44bbf2-7
0.316
TAT-ENA-80bfd3e5-27
0.315
MAR-TRE-6a44bbf2-62
0.313
DRR-IMP-db50bf6e-4
0.312
MAR-TRE-3e4e6814-92
0.311
JUA-UNI-a9dfaed1-3
0.311
KEI-TRE-d5e2018a-13
0.308
ROD-UFR-93b30032-1
0.307
MAR-TRE-3e4e6814-34
0.306
KEI-TRE-d5e2018a-32
0.306
MAK-UNK-009ebe36-4
0.304
MAK-UNK-69bf97dd-5
0.301
PEI-IMP-ca0b2813-4
0.299
GIA-UNK-3f36037a-6
0.299
JUA-UNI-a9dfaed1-2
0.299
MAR-TRE-a9136c7b-17
0.295
SAD-SAT-9a6c5cf3-10
0.295
SAD-SAT-2fd372d1-5
0.294
MAR-TRE-3159af1a-52
0.293
MAR-TRE-f5c2d31c-74
0.292
MAK-UNK-752736de-4
0.291
MAR-TRE-2fd8122f-15
0.289
KEI-TRE-d5e2018a-10
0.289
GIA-UNK-eaadd1d4-3
0.287
STU-CHA-6d5cfe2b-1
0.287
MAR-TRE-6a44bbf2-73
0.286
SAD-SAT-65574d3f-2
0.286
MAR-TRE-6a44bbf2-21
0.284
MAK-UNK-7c9d1431-9
0.284
KEI-TRE-d5e2018a-61
0.283
PEI-IMP-668afc53-1
0.281
MAR-TRE-4f781e27-67
0.281
MAK-UNK-942dcb71-7
0.280
SAD-SAT-9a6c5cf3-1
0.280
MAK-UNK-c74072e5-4
0.280
KEI-TRE-d5e2018a-9
0.280
MAR-TRE-6a44bbf2-70
0.278
MAT-POS-b5746674-85
0.278
MAR-TRE-f5c2d31c-66
0.278
MAR-TRE-2fd8122f-55
0.278
KEI-TRE-d5e2018a-22
0.278
MED-COV-4280ac29-22
0.277
GIA-UNK-3f36037a-2
0.276
MAR-TRE-6a44bbf2-89
0.276
MAR-TRE-2fd8122f-31
0.275
KEI-TRE-d5e2018a-52
0.275
MAK-UNK-10799360-10
0.275
MAK-UNK-f983951f-21
0.274
MAK-UNK-3f402c2b-11
0.274
AAR-POS-d2a4d1df-31
0.273
SAD-SAT-bc31ec01-10
0.272
SAD-SAT-f2e2579e-6
0.272
NAU-LAT-f723e322-5
0.272
MAR-TRE-67513f76-51
0.272
KAT-UNK-b2a0d5b1-1
0.272
AHN-SAT-de2502ba-6
0.272
MAR-TRE-6a44bbf2-43
0.272
SAD-SAT-1b030f84-2
0.271
MAR-TRE-fd17a9b8-20
0.271
KEI-TRE-d5e2018a-53
0.271
MAR-TRE-6a44bbf2-11
0.271