Molecular Properties | |
SMILES: | COc1ccc(N(CCCC(=O)Nc2cccnc2)S(C)(=O)=O)cc1 |
MW: | 363.13 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 88.6 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1048661663 |
MolPort: | MolPort-018-668-880 |
Long aliphatic chain
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-95
0.554
MAR-TRE-d0525fbf-92
0.554
MAR-TRE-74c6519b-56
0.542
KEI-TRE-d5e2018a-88
0.542
KEI-TRE-d5e2018a-27
0.532
MAR-TRE-7f7bb9f0-16
0.532
MAR-TRE-7f7bb9f0-6
0.512
KEI-TRE-d5e2018a-84
0.512
ALE-HEI-f28a35b5-14
0.485
KEI-TRE-d5e2018a-54
0.476
MAR-TRE-7f7bb9f0-90
0.462
MAR-TRE-3e4e6814-50
0.462
KEI-TRE-d5e2018a-80
0.447
KEI-TRE-d5e2018a-34
0.447
KEI-TRE-d5e2018a-2
0.433
KEI-TRE-d5e2018a-64
0.429
MAR-TRE-d0525fbf-55
0.429
KEI-TRE-d5e2018a-87
0.424
KEI-TRE-d5e2018a-75
0.419
MAR-TRE-4b834d9a-16
0.419
KEI-TRE-d5e2018a-7
0.419
JOH-IMS-62aeb97d-5
0.418
KEI-TRE-d5e2018a-65
0.416
MAR-TRE-7f7bb9f0-46
0.412
KEI-TRE-d5e2018a-89
0.412
KEI-TRE-d5e2018a-42
0.410
MAR-TRE-67513f76-81
0.409
KEI-TRE-d5e2018a-4
0.409
MAR-TRE-67513f76-55
0.407
MAR-TRE-3e4e6814-28
0.407
KEI-TRE-d5e2018a-91
0.404
KEI-TRE-d5e2018a-100
0.404
KEI-TRE-d5e2018a-93
0.404
WIL-UNI-5578df48-5
0.402
KEI-TRE-d5e2018a-69
0.400
MAR-TRE-2fd8122f-100
0.400
KEI-TRE-d5e2018a-67
0.400
CHR-SOS-70e4c98a-5
0.398
KEI-TRE-d5e2018a-99
0.398
MAR-TRE-67513f76-32
0.398
MAK-UNK-ca11b4f7-1
0.397
KEI-TRE-d5e2018a-18
0.396
KEI-TRE-d5e2018a-33
0.396
KEI-TRE-d5e2018a-82
0.396
CHA-MCP-85291e1d-4
0.393
KEI-TRE-d5e2018a-78
0.392
KEI-TRE-d5e2018a-56
0.391
MAR-TRE-04c86cea-97
0.390
KEI-TRE-d5e2018a-68
0.386
KEI-TRE-d5e2018a-59
0.385
MAR-TRE-2fd8122f-62
0.385
KEI-TRE-d5e2018a-25
0.384
MAR-TRE-2fd8122f-50
0.382
MAR-TRE-3e4e6814-6
0.382
MAR-TRE-04c86cea-93
0.382
KEI-TRE-d5e2018a-50
0.381
KEI-TRE-d5e2018a-17
0.381
MAR-TRE-2fd8122f-80
0.380
MAR-TRE-74c6519b-19
0.380
KEI-TRE-d5e2018a-63
0.380
MAR-TRE-9c797165-12
0.379
CHR-SOS-70e4c98a-11
0.379
MAR-TRE-b77b7921-85
0.379
KEI-TRE-d5e2018a-55
0.379
MAR-TRE-9c797165-95
0.379
SAD-SAT-24589cd1-4
0.373
MAR-TRE-04c86cea-31
0.370
MAR-TRE-67513f76-87
0.369
KEI-TRE-d5e2018a-29
0.368
MAR-TRE-2fd8122f-2
0.368
MAR-TRE-74c6519b-58
0.368
DAR-DIA-842b4336-13
0.367
DAR-DIA-842b4336-12
0.367
ANT-DIA-3c79be55-4
0.366
CHR-SOS-70e4c98a-6
0.366
MAR-TRE-2fd8122f-64
0.366
KEI-TRE-d5e2018a-81
0.365
ASH-UNK-40b46b30-3
0.365
MAK-UNK-a7b37c5e-5
0.364
MAR-TRE-2fd8122f-72
0.364
MAR-TRE-3e4e6814-59
0.364
MAR-TRE-3e4e6814-8
0.363
DAR-DIA-842b4336-16
0.362
MAR-TRE-2fd8122f-93
0.362
MAR-TRE-d0525fbf-33
0.362
MAR-TRE-4b834d9a-82
0.362
MAR-TRE-fd17a9b8-39
0.362
MAR-TRE-3e4e6814-67
0.360
SAN-PRS-52b81272-2
0.360
MAR-TRE-b77b7921-17
0.360
KEI-TRE-d5e2018a-19
0.360
MAR-TRE-74c6519b-42
0.360
MAR-TRE-67513f76-97
0.359
MAR-TRE-7f7bb9f0-49
0.358
MAR-TRE-2fd8122f-20
0.358
MAR-TRE-2fd8122f-48
0.358
MAR-TRE-2fd8122f-75
0.357
KEI-TRE-d5e2018a-57
0.357
CHR-SOS-70e4c98a-8
0.357
MAR-TRE-4b834d9a-79
0.357