Molecular Properties | |
SMILES: | CCc1ccc(N(C(C)C(=O)Nc2cccnc2)S(C)(=O)=O)cc1 |
MW: | 347.13 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 79.37 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6650244054 |
MolPort: | MolPort-016-589-590 |
Hetero_hetero
ALE-HEI-f28a35b5-9
MAR-TRE-67513f76-32
0.738
KEI-TRE-d5e2018a-99
0.738
KEI-TRE-d5e2018a-42
0.727
MAR-TRE-7f7bb9f0-16
0.716
KEI-TRE-d5e2018a-27
0.716
KEI-TRE-d5e2018a-17
0.638
KEI-TRE-d5e2018a-25
0.634
KEI-TRE-d5e2018a-29
0.611
KEI-TRE-d5e2018a-80
0.600
KEI-TRE-d5e2018a-19
0.595
KEI-TRE-d5e2018a-34
0.579
MAR-TRE-7f7bb9f0-92
0.562
KEI-TRE-d5e2018a-40
0.547
KEI-TRE-d5e2018a-76
0.538
KEI-TRE-d5e2018a-81
0.527
KEI-TRE-d5e2018a-55
0.519
KEI-TRE-d5e2018a-47
0.519
KEI-TRE-d5e2018a-24
0.475
KEI-TRE-d5e2018a-16
0.458
KEI-TRE-d5e2018a-43
0.451
JOH-IMS-62aeb97d-2
0.425
KEI-TRE-d5e2018a-91
0.402
KEI-TRE-d5e2018a-100
0.402
KEI-TRE-d5e2018a-92
0.400
MED-UNK-e6e8ef8a-1
0.400
PET-SGC-b0f8bd49-1
0.395
ASH-UNK-40b46b30-3
0.395
BEN-DND-362d364a-12
0.395
PET-SGC-d0156db4-1
0.395
DRE-WAB-ae4a693c-1
0.395
JOH-IMS-62aeb97d-5
0.394
MAR-TRE-2fd8122f-69
0.388
MAK-UNK-c749d764-17
0.387
MAR-TRE-2fd8122f-79
0.385
ADA-UNI-f8e79267-2
0.381
ASH-UNK-40b46b30-13
0.381
ANT-DIA-3c79be55-4
0.380
ADA-UNI-f8e79267-1
0.376
MAR-TRE-3e4e6814-93
0.375
KEI-TRE-d5e2018a-56
0.374
MAK-UNK-ca11b4f7-1
0.373
MAR-TRE-7f7bb9f0-49
0.372
SAD-SAT-689b7d5a-6
0.369
ADA-UNI-f8e79267-8
0.367
MAR-TRE-67513f76-81
0.364
ZAC-WAB-d55a3c2e-2
0.364
MAR-TRE-f6f5f473-95
0.364
MED-UNK-e6e8ef8a-7
0.364
ZAC-WAB-3baddbb3-1
0.364
MAR-TRE-2fd8122f-51
0.364
KEI-TRE-d5e2018a-82
0.363
ADA-UNI-f8e79267-7
0.363
ADA-UNI-f8e79267-4
0.361
KEI-TRE-d5e2018a-89
0.360
KEI-TRE-d5e2018a-54
0.360
MAK-UNK-ca11b4f7-3
0.358
ADA-UNI-f8e79267-3
0.356
MAR-TRE-2fd8122f-56
0.356
ADA-UNI-f8e79267-5
0.354
MAR-TRE-4b834d9a-16
0.352
KEI-TRE-d5e2018a-7
0.352
MAR-TRE-4b834d9a-27
0.352
KEI-TRE-d5e2018a-23
0.352
KEI-TRE-d5e2018a-65
0.352
MAK-UNK-f0bfc2e0-1
0.349
ADA-UNI-f8e79267-10
0.348
MAK-UNK-a7b37c5e-4
0.347
DAR-DIA-842b4336-12
0.346
PET-SGC-1fc12be1-1
0.346
MAK-UNK-c749d764-7
0.345
KEI-TRE-d5e2018a-4
0.344
MAR-TRE-2fd8122f-4
0.344
WIL-UNI-5578df48-2
0.342
MAK-UNK-a7b37c5e-5
0.342
WIL-UNI-5578df48-3
0.341
MAR-TRE-7f7bb9f0-46
0.341
MAK-UNK-c749d764-23
0.341
ADA-UNI-f8e79267-11
0.341
KEI-TRE-d5e2018a-2
0.340
MAK-UNK-ca11b4f7-2
0.338
SAN-PRS-52b81272-2
0.338
MAK-UNK-d1e89583-4
0.338
DAR-DIA-842b4336-10
0.338
MAK-UNK-c749d764-27
0.338
CHA-MCP-85291e1d-2
0.337
SAD-SAT-689b7d5a-4
0.337
MAK-UNK-c749d764-9
0.337
MAR-TRE-2fd8122f-1
0.337
MAK-UNK-b2c98f02-5
0.337
MAR-TRE-d0525fbf-55
0.337
MAR-TRE-2fd8122f-64
0.333
MAR-TRE-f6f5f473-75
0.333
MAR-TRE-67513f76-93
0.333
MAR-TRE-04c86cea-90
0.333
TAM-UNI-c140e31a-10
0.333
SAD-SAT-24589cd1-4
0.333
ADA-UNI-f8e79267-6
0.333
ADA-UNI-f8e79267-9
0.333
KEI-TRE-d5e2018a-84
0.333
MAK-UNK-a7b37c5e-1
0.333