Molecular Properties | |
SMILES: | COc1ccc(NC(=O)CCl)cc1S(=O)(=O)N1CCOCC1 |
MW: | 348.05 |
Fraction sp3: | 0.46 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.94 |
cLogP: | 0.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6184826598 |
MolPort: | MolPort-002-464-073 |
Dye 22
Hetero_hetero
MAR-TRE-6a44bbf2-83
0.657
AHN-SAT-de2502ba-13
0.657
MAR-TRE-6a44bbf2-100
0.528
AHN-SAT-de2502ba-4
0.528
MAR-TRE-2fd8122f-35
0.500
SAD-SAT-f0a2747f-7
0.470
AHN-SAT-de2502ba-9
0.447
AHN-SAT-de2502ba-16
0.434
MAR-TRE-6a44bbf2-45
0.423
MAK-UNK-7c9d1431-30
0.423
AHN-SAT-de2502ba-12
0.410
MAR-TRE-6a44bbf2-20
0.410
SAD-SAT-65574d3f-8
0.410
MAR-TRE-6a44bbf2-43
0.390
AHN-SAT-de2502ba-6
0.390
MAR-TRE-6a44bbf2-93
0.389
MAR-TRE-6a44bbf2-89
0.384
AHN-SAT-de2502ba-5
0.380
MAR-TRE-6a44bbf2-63
0.378
IND-SYN-6c8299e8-9
0.370
KEI-TRE-d5e2018a-53
0.370
MAR-TRE-2fd8122f-55
0.362
MAR-TRE-6a44bbf2-88
0.358
SAD-SAT-f0a2747f-5
0.358
MAR-TRE-6a44bbf2-74
0.342
ROD-UFR-93b30032-1
0.337
MAK-UNK-7c9d1431-19
0.333
MAR-TRE-6a44bbf2-17
0.333
MAR-TRE-3e4e6814-92
0.326
MAR-TRE-4f781e27-67
0.326
KEI-TRE-d5e2018a-13
0.323
MAR-TRE-6a44bbf2-95
0.321
MAR-TRE-6a44bbf2-84
0.316
MAK-UNK-69bf97dd-5
0.316
MAK-UNK-69bf97dd-6
0.316
TAT-ENA-80bfd3e5-27
0.315
MAR-TRE-799db12b-34
0.315
AHN-SAT-de2502ba-10
0.313
MAR-TRE-8190bb11-100
0.311
AAR-POS-0daf6b7e-11
0.309
LON-WEI-8f408cad-1
0.309
MAK-UNK-7a704a63-10
0.309
AHN-SAT-de2502ba-19
0.309
SAD-SAT-135344c3-1
0.309
MAR-TRE-6a44bbf2-34
0.306
MAR-TRE-799db12b-64
0.304
MAR-TRE-e82e6c98-58
0.302
AHN-SAT-de2502ba-17
0.301
AHN-SAT-de2502ba-18
0.301
MAR-TRE-67513f76-51
0.301
MAR-TRE-a9136c7b-65
0.300
MAR-TRE-2fd8122f-94
0.298
AAR-POS-d2a4d1df-38
0.298
MAR-TRE-d0525fbf-99
0.297
SAD-SAT-9a6c5cf3-1
0.294
KEI-TRE-d5e2018a-22
0.293
MAK-UNK-7a704a63-22
0.293
MAR-TRE-6a44bbf2-35
0.293
KEI-TRE-d5e2018a-32
0.292
MAR-TRE-3e4e6814-34
0.292
MAK-UNK-69bf97dd-3
0.292
MAR-TRE-fd17a9b8-2
0.292
MAT-POS-b5746674-56
0.291
MAR-TRE-2fd8122f-15
0.290
KEI-TRE-d5e2018a-10
0.290
KEI-TRE-d5e2018a-52
0.290
MAR-TRE-f5c2d31c-42
0.290
IND-SYN-6c8299e8-8
0.289
SWA-SYN-d2e6fa14-10
0.289
SWA-SYN-6423ea73-9
0.289
MAR-TRE-f5c2d31c-19
0.289
KEI-TRE-d5e2018a-61
0.284
MAK-UNK-7c9d1431-17
0.284
MAR-TRE-f5c2d31c-99
0.283
MAR-TRE-fd17a9b8-62
0.283
PEI-IMP-668afc53-1
0.283
KEI-TRE-d5e2018a-9
0.281
PEI-IMP-ca0b2813-3
0.279
MAR-TRE-a9136c7b-38
0.279
MAR-TRE-f5c2d31c-96
0.278
MAR-TRE-6a44bbf2-13
0.277
RHE-UNK-eb059eb9-1
0.277
AAR-POS-0daf6b7e-3
0.277
WAR-XCH-79d12f6e-6
0.277
AAR-POS-d2a4d1df-36
0.277
MAR-TRE-fd17a9b8-22
0.277
MAR-TRE-2fd8122f-31
0.277
SAD-SAT-2ceae68f-9
0.276
MAR-TRE-c317dd82-22
0.276
MAR-TRE-f5c2d31c-38
0.276
STU-CHA-6d5cfe2b-1
0.276
MAR-TRE-f5c2d31c-81
0.276
TAT-ENA-80bfd3e5-36
0.275
MAT-POS-fa06b69f-5
0.275
MAR-TRE-fd17a9b8-50
0.275
KAT-UNK-b2a0d5b1-1
0.274
MAR-TRE-fd17a9b8-47
0.273
MAR-TRE-fd17a9b8-100
0.273
MAR-TRE-6a44bbf2-90
0.273
MAR-TRE-f5c2d31c-13
0.272