Molecular Properties | |
SMILES: | COc1ccc(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1 |
MW: | 349.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 88.6 |
cLogP: | 1.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1176483696 |
MolPort: | MolPort-001-985-618 |
Hetero_hetero
ALE-HEI-f28a35b5-9
KEI-TRE-d5e2018a-27
1.000
MAR-TRE-67513f76-32
0.750
KEI-TRE-d5e2018a-99
0.750
KEI-TRE-d5e2018a-42
0.738
KEI-TRE-d5e2018a-69
0.716
KEI-TRE-d5e2018a-34
0.700
KEI-TRE-d5e2018a-80
0.700
KEI-TRE-d5e2018a-17
0.647
KEI-TRE-d5e2018a-25
0.620
KEI-TRE-d5e2018a-29
0.620
KEI-TRE-d5e2018a-19
0.603
MAR-TRE-7f7bb9f0-92
0.570
KEI-TRE-d5e2018a-40
0.554
KEI-TRE-d5e2018a-76
0.545
KEI-TRE-d5e2018a-92
0.532
KEI-TRE-d5e2018a-47
0.526
KEI-TRE-d5e2018a-81
0.493
KEI-TRE-d5e2018a-55
0.487
KEI-TRE-d5e2018a-24
0.444
MAR-TRE-74c6519b-56
0.442
KEI-TRE-d5e2018a-88
0.442
MAR-TRE-d0525fbf-92
0.437
KEI-TRE-d5e2018a-95
0.437
MAR-TRE-2fd8122f-50
0.434
MAR-TRE-d0525fbf-55
0.432
KEI-TRE-d5e2018a-84
0.430
KEI-TRE-d5e2018a-16
0.429
KEI-TRE-d5e2018a-43
0.422
KEI-TRE-d5e2018a-67
0.419
MAR-TRE-2fd8122f-97
0.418
MAR-TRE-7f7bb9f0-6
0.412
MAR-TRE-7f7bb9f0-90
0.410
MAR-TRE-2fd8122f-79
0.408
WIL-UNI-5578df48-5
0.405
ASH-UNK-40b46b30-3
0.400
MAR-TRE-b77b7921-85
0.398
KEI-TRE-d5e2018a-54
0.395
AGN-NEW-891393a6-1
0.392
JOH-IMS-62aeb97d-2
0.392
MED-UNK-e6e8ef8a-1
0.387
DRE-WAB-ae4a693c-1
0.383
BEN-DND-362d364a-12
0.383
PET-SGC-d0156db4-1
0.383
PET-SGC-b0f8bd49-1
0.383
ADA-UNI-f8e79267-4
0.383
ADA-UNI-f8e79267-1
0.381
MAR-TRE-3e4e6814-93
0.380
MAR-TRE-4b834d9a-73
0.379
KEI-TRE-d5e2018a-56
0.378
KEI-TRE-d5e2018a-93
0.376
MAR-TRE-2fd8122f-56
0.375
KEI-TRE-d5e2018a-2
0.374
KEI-TRE-d5e2018a-57
0.372
MAK-UNK-f0bfc2e0-1
0.369
ADA-UNI-f8e79267-2
0.369
ASH-UNK-40b46b30-13
0.369
MED-UNK-e6e8ef8a-7
0.368
MAR-TRE-3e4e6814-6
0.368
ZAC-WAB-3baddbb3-1
0.368
ZAC-WAB-d55a3c2e-2
0.368
KEI-TRE-d5e2018a-82
0.367
MAR-TRE-2fd8122f-64
0.367
RAL-MED-9a5eb9cb-6
0.365
RAL-MED-9a5eb9cb-14
0.364
MAK-UNK-ca11b4f7-3
0.364
MAR-TRE-7f7bb9f0-46
0.362
RAL-MED-9a5eb9cb-7
0.361
SAN-PRS-52b81272-3
0.361
MAR-TRE-67513f76-55
0.360
KEI-TRE-d5e2018a-91
0.360
KEI-TRE-d5e2018a-100
0.360
MAR-TRE-7f7bb9f0-49
0.359
MAR-TRE-2fd8122f-48
0.359
JOH-IMS-62aeb97d-5
0.358
MAK-UNK-ca11b4f7-1
0.358
MAR-TRE-3e4e6814-50
0.358
ADA-UNI-f8e79267-5
0.358
MAR-TRE-2fd8122f-75
0.358
KEI-TRE-d5e2018a-64
0.355
ADA-UNI-f8e79267-10
0.352
ADA-UNI-f8e79267-7
0.352
BRU-LEF-973da26b-1
0.351
KEI-TRE-d5e2018a-87
0.351
KEI-TRE-d5e2018a-89
0.349
MAK-UNK-c749d764-7
0.349
MAR-TRE-67513f76-81
0.348
MAR-TRE-2fd8122f-4
0.348
KEI-TRE-d5e2018a-75
0.347
WIL-UNI-5578df48-2
0.347
LON-WEI-d1c9908a-7
0.344
MAK-UNK-ca11b4f7-2
0.343
MAK-UNK-d1e89583-4
0.342
WIL-UNI-5578df48-4
0.341
MAR-TRE-2fd8122f-69
0.341
MAR-TRE-4b834d9a-16
0.341
KEI-TRE-d5e2018a-7
0.341
ADA-UNI-f8e79267-8
0.341
MAR-TRE-3e4e6814-79
0.341
KEI-TRE-d5e2018a-65
0.341
WIL-UNI-5578df48-39
0.340