Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1 |
MW: | 332.06 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.71 |
cLogP: | 1.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-01641 |
Enamine SCR: | Z56824603 |
Enamine REAL: | Z56824603 |
Mcule: | MCULE-3027766534 |
MolPort: | MolPort-002-462-845 |
Dye 22
Hetero_hetero
AHN-SAT-de2502ba-13
1.000
MAR-TRE-6a44bbf2-42
0.657
MAR-TRE-6a44bbf2-100
0.529
AHN-SAT-de2502ba-4
0.529
MAR-TRE-6a44bbf2-93
0.516
AHN-SAT-de2502ba-9
0.507
SAD-SAT-f0a2747f-7
0.469
AHN-SAT-de2502ba-16
0.452
SAD-SAT-65574d3f-8
0.427
AHN-SAT-de2502ba-12
0.427
MAR-TRE-6a44bbf2-20
0.427
RHE-UNK-eb059eb9-1
0.392
AAR-POS-0daf6b7e-3
0.392
WAR-XCH-79d12f6e-6
0.392
MAR-TRE-6a44bbf2-13
0.392
SAD-SAT-f0a2747f-5
0.390
MAR-TRE-6a44bbf2-43
0.387
AHN-SAT-de2502ba-6
0.387
MAR-TRE-6a44bbf2-89
0.380
AHN-SAT-de2502ba-5
0.377
MAR-TRE-6a44bbf2-63
0.375
MAR-TRE-2fd8122f-35
0.370
MAR-TRE-3e4e6814-92
0.368
IND-SYN-6c8299e8-9
0.367
AHN-SAT-de2502ba-10
0.359
MAR-TRE-6a44bbf2-74
0.357
MAR-TRE-8190bb11-100
0.353
MAR-TRE-6a44bbf2-95
0.351
KEI-TRE-d5e2018a-13
0.348
MAR-TRE-6a44bbf2-17
0.347
TAT-ENA-80bfd3e5-27
0.341
MAK-UNK-7a704a63-10
0.338
LON-WEI-8f408cad-1
0.338
AAR-POS-0daf6b7e-11
0.338
MAR-TRE-4f781e27-67
0.337
SAD-SAT-135344c3-1
0.333
MAR-TRE-6a44bbf2-34
0.333
MAR-TRE-6a44bbf2-84
0.329
MAR-TRE-f5c2d31c-42
0.326
MAK-UNK-69bf97dd-5
0.326
MAR-TRE-f5c2d31c-19
0.326
MAK-UNK-69bf97dd-6
0.326
SAD-SAT-9a6c5cf3-7
0.322
AHN-SAT-de2502ba-19
0.321
MAR-TRE-6a44bbf2-35
0.321
AAR-POS-d2a4d1df-36
0.321
MAR-TRE-799db12b-64
0.315
AHN-SAT-de2502ba-17
0.312
AHN-SAT-de2502ba-18
0.312
MAR-TRE-799db12b-34
0.310
AAR-POS-d2a4d1df-38
0.309
MAR-TRE-2fd8122f-94
0.308
MAR-TRE-f5c2d31c-99
0.305
BEN-DND-93268d01-10
0.304
KEI-TRE-d5e2018a-22
0.303
SAD-SAT-9a6c5cf3-1
0.303
MAR-TRE-f5c2d31c-28
0.302
SAD-SAT-2ceae68f-5
0.301
MAR-TRE-2fd8122f-15
0.300
IND-SYN-6c8299e8-8
0.300
SWA-SYN-d2e6fa14-10
0.300
SWA-SYN-6423ea73-9
0.300
MAK-UNK-6ca90168-26
0.300
MAR-TRE-67513f76-51
0.297
MAR-TRE-f5c2d31c-70
0.296
MAR-TRE-fd17a9b8-49
0.296
MAR-TRE-a9136c7b-65
0.295
ROD-UFR-9b69e111-1
0.294
GAB-REV-70cc3ca5-3
0.291
BAR-COM-0f94fc3d-33
0.290
SEL-UNI-c5c112eb-1
0.289
SAD-SAT-2ceae68f-3
0.289
KEI-TRE-d5e2018a-32
0.287
MAR-TRE-3e4e6814-34
0.287
MAK-UNK-69bf97dd-3
0.287
MAR-TRE-f5c2d31c-96
0.287
MAK-UNK-009ebe36-4
0.287
MAR-TRE-a9136c7b-38
0.287
MAK-UNK-1e8f9e3c-3
0.286
KEI-TRE-d5e2018a-10
0.286
MAK-UNK-1e8f9e3c-5
0.286
MAK-UNK-7c9d1431-30
0.286
SAD-SAT-2ceae68f-9
0.286
KEI-TRE-d5e2018a-52
0.286
MAR-TRE-6a44bbf2-45
0.286
MAR-TRE-2fd8122f-31
0.286
MAR-TRE-9c797165-3
0.284
KAT-UNK-b2a0d5b1-1
0.284
MAR-TRE-6a44bbf2-90
0.284
NAU-LAT-f723e322-5
0.283
MAK-UNK-c8c8f7e2-39
0.282
MAK-UNK-7a704a63-16
0.282
SAD-SAT-6b5a89f0-8
0.281
MAR-TRE-f5c2d31c-57
0.281
KEI-TRE-d5e2018a-53
0.281
MAR-TRE-6a44bbf2-65
0.280
TAT-ENA-80bfd3e5-43
0.280
MAR-TRE-6a44bbf2-30
0.280
MAK-UNK-7c9d1431-11
0.280
AHN-SAT-de2502ba-2
0.280