Molecular Properties | |
SMILES: | CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCCO2 |
MW: | 363.09 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 97.83 |
cLogP: | 1.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8215719841 |
MolPort: | MolPort-002-091-750 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-46
0.725
KEI-TRE-d5e2018a-54
0.580
KEI-TRE-d5e2018a-1
0.578
KEI-TRE-d5e2018a-7
0.575
MAR-TRE-4b834d9a-16
0.575
MAR-TRE-7f7bb9f0-92
0.571
KEI-TRE-d5e2018a-4
0.561
KEI-TRE-d5e2018a-89
0.512
MAR-TRE-7f7bb9f0-6
0.471
MAK-UNK-009ebe36-6
0.457
KEI-TRE-d5e2018a-2
0.446
MAR-TRE-f6f5f473-25
0.438
KEI-TRE-d5e2018a-87
0.436
KEI-TRE-d5e2018a-75
0.432
KEI-TRE-d5e2018a-59
0.427
KEI-TRE-d5e2018a-64
0.426
KEI-TRE-d5e2018a-84
0.424
KEI-TRE-d5e2018a-18
0.423
KEI-TRE-d5e2018a-50
0.423
KEI-TRE-d5e2018a-88
0.419
MAR-TRE-74c6519b-56
0.419
KEI-TRE-d5e2018a-78
0.418
KEI-TRE-d5e2018a-92
0.416
MAR-TRE-d0525fbf-92
0.415
KEI-TRE-d5e2018a-95
0.415
MAR-TRE-4b834d9a-79
0.412
MAR-TRE-2fd8122f-92
0.411
KEI-TRE-d5e2018a-30
0.411
MAR-TRE-7f7bb9f0-27
0.411
KEI-TRE-d5e2018a-33
0.408
MAR-TRE-2fd8122f-98
0.402
KEI-TRE-d5e2018a-93
0.402
DAR-DIA-842b4336-12
0.400
JOH-IMS-62aeb97d-5
0.394
KEI-TRE-d5e2018a-39
0.390
MAR-TRE-67513f76-81
0.386
DAR-DIA-842b4336-13
0.383
PET-SGC-d0156db4-2
0.378
MAK-UNK-ca11b4f7-1
0.375
KEI-TRE-d5e2018a-31
0.374
KEI-TRE-d5e2018a-24
0.374
MAR-TRE-2fd8122f-33
0.366
DAR-DIA-842b4336-11
0.366
KEI-TRE-d5e2018a-81
0.364
ALE-HEI-f28a35b5-14
0.364
MED-UNK-e6e8ef8a-3
0.361
KEI-TRE-d5e2018a-91
0.358
KEI-TRE-d5e2018a-100
0.358
MAR-TRE-7f7bb9f0-49
0.357
CHA-MCP-85291e1d-2
0.356
MAR-TRE-2fd8122f-94
0.354
DAR-DIA-842b4336-14
0.353
KEI-TRE-d5e2018a-29
0.352
KEI-TRE-d5e2018a-40
0.352
KEI-TRE-d5e2018a-69
0.352
MAR-TRE-2fd8122f-2
0.352
MAR-TRE-4b834d9a-45
0.351
MAR-TRE-2fd8122f-91
0.351
KEI-TRE-d5e2018a-37
0.351
KEI-TRE-d5e2018a-82
0.351
MED-UNK-e6e8ef8a-6
0.349
ANT-DIA-3c79be55-4
0.349
KEI-TRE-d5e2018a-17
0.348
ASH-UNK-40b46b30-3
0.348
KEI-TRE-d5e2018a-99
0.348
MAR-TRE-67513f76-32
0.348
KEI-TRE-d5e2018a-55
0.348
CHR-SOS-70e4c98a-7
0.347
KEI-TRE-d5e2018a-56
0.347
MAR-TRE-d0525fbf-33
0.347
MAR-TRE-b77b7921-40
0.346
FRA-FAC-9ed5a63a-2
0.345
MED-UNK-e6e8ef8a-2
0.345
DAR-DIA-842b4336-16
0.345
SAD-SAT-2fd372d1-7
0.345
CHA-MCP-85291e1d-4
0.344
KEI-TRE-d5e2018a-42
0.344
MAR-TRE-4b834d9a-31
0.344
MAR-TRE-2fd8122f-37
0.344
MAK-UNK-ca11b4f7-3
0.342
MAR-TRE-6a44bbf2-74
0.342
SAN-PRS-52b81272-2
0.342
MAR-TRE-3e4e6814-50
0.341
MAR-TRE-04c86cea-97
0.341
KEI-TRE-d5e2018a-27
0.341
MAR-TRE-7f7bb9f0-16
0.341
CHR-SOS-70e4c98a-9
0.340
MAR-TRE-7f7bb9f0-28
0.340
SAD-SAT-24589cd1-4
0.338
DAR-DIA-23aa0b97-16
0.337
AAR-POS-d2a4d1df-13
0.337
FRA-FAC-9ed5a63a-1
0.337
MAK-UNK-a7b37c5e-1
0.337
ALE-HEI-f28a35b5-9
0.337
MAK-UNK-c749d764-17
0.337
MED-UNK-e6e8ef8a-4
0.337
MAR-TRE-9c797165-52
0.337
CHA-MCP-85291e1d-5
0.337
KEI-TRE-d5e2018a-25
0.337
TAM-UNI-c140e31a-10
0.337