Molecular Properties | |
SMILES: | CC(=O)c1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1 |
MW: | 347.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 96.44 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2953064828 |
MolPort: | MolPort-002-289-350 |
Ketone
Hetero_hetero
KEI-TRE-d5e2018a-7
1.000
KEI-TRE-d5e2018a-4
0.676
KEI-TRE-d5e2018a-54
0.590
KEI-TRE-d5e2018a-65
0.575
KEI-TRE-d5e2018a-89
0.519
KEI-TRE-d5e2018a-64
0.494
MAR-TRE-7f7bb9f0-6
0.494
MAR-TRE-2fd8122f-98
0.494
KEI-TRE-d5e2018a-2
0.483
KEI-TRE-d5e2018a-87
0.440
KEI-TRE-d5e2018a-75
0.435
KEI-TRE-d5e2018a-95
0.433
MAR-TRE-d0525fbf-92
0.433
KEI-TRE-d5e2018a-59
0.430
KEI-TRE-d5e2018a-84
0.427
KEI-TRE-d5e2018a-50
0.426
KEI-TRE-d5e2018a-46
0.426
KEI-TRE-d5e2018a-88
0.422
MAR-TRE-74c6519b-56
0.422
KEI-TRE-d5e2018a-92
0.419
JOH-IMS-62aeb97d-5
0.418
MAR-TRE-4b834d9a-79
0.415
KEI-TRE-d5e2018a-18
0.411
KEI-TRE-d5e2018a-33
0.411
MAR-TRE-67513f76-81
0.409
KEI-TRE-d5e2018a-24
0.407
KEI-TRE-d5e2018a-39
0.406
KEI-TRE-d5e2018a-78
0.406
KEI-TRE-d5e2018a-93
0.404
KEI-TRE-d5e2018a-31
0.402
KEI-TRE-d5e2018a-29
0.400
MAR-TRE-2fd8122f-2
0.400
MAK-UNK-ca11b4f7-1
0.397
CHA-MCP-85291e1d-2
0.390
KEI-TRE-d5e2018a-25
0.384
KEI-TRE-d5e2018a-81
0.381
EMI-TUK-a58865cc-3
0.381
KEI-TRE-d5e2018a-1
0.380
MED-UNK-e6e8ef8a-3
0.380
FRA-FAC-9ed5a63a-2
0.380
MED-UNK-e6e8ef8a-2
0.380
PET-SGC-d0156db4-2
0.379
EMI-TUK-a58865cc-1
0.379
KEI-TRE-d5e2018a-16
0.378
MAR-TRE-2fd8122f-37
0.376
KEI-TRE-d5e2018a-56
0.376
KEI-TRE-d5e2018a-19
0.375
KEI-TRE-d5e2018a-91
0.374
KEI-TRE-d5e2018a-100
0.374
MAK-UNK-c749d764-17
0.372
CHA-MCP-85291e1d-5
0.369
TAM-UNI-c140e31a-10
0.368
DAR-DIA-842b4336-12
0.367
EDG-MED-0da5ad92-2
0.367
KEI-TRE-d5e2018a-34
0.367
MAR-TRE-2fd8122f-57
0.366
MAR-TRE-2fd8122f-78
0.366
KEI-TRE-d5e2018a-82
0.366
ALE-HEI-f28a35b5-14
0.365
ASH-UNK-40b46b30-3
0.365
KEI-TRE-d5e2018a-17
0.365
KEI-TRE-d5e2018a-74
0.364
MAK-UNK-ca11b4f7-3
0.362
KAL-WAB-eb347ebe-1
0.361
CHA-MCP-85291e1d-4
0.360
SAN-PRS-52b81272-2
0.360
MAK-UNK-c749d764-27
0.358
MAR-TRE-7f7bb9f0-49
0.358
MAR-TRE-7f7bb9f0-74
0.358
WIL-UNI-5578df48-4
0.357
MAR-TRE-7f7bb9f0-90
0.357
MAR-TRE-04c86cea-97
0.357
CHA-MCP-85291e1d-1
0.356
SAD-SAT-24589cd1-4
0.355
ALE-HEI-f28a35b5-9
0.354
AAR-POS-d2a4d1df-13
0.354
FRA-FAC-9ed5a63a-1
0.354
DAR-DIA-23aa0b97-16
0.354
DAR-DIA-842b4336-14
0.354
MAR-TRE-7f7bb9f0-56
0.354
MAR-TRE-67513f76-93
0.354
KEI-TRE-d5e2018a-69
0.352
KEI-TRE-d5e2018a-45
0.352
MAK-UNK-f0bfc2e0-1
0.352
KEI-TRE-d5e2018a-47
0.352
CHR-SOS-70e4c98a-5
0.352
MAR-TRE-f6f5f473-46
0.352
KEI-TRE-d5e2018a-76
0.352
MAK-UNK-a7b37c5e-4
0.351
ALE-HEI-f28a35b5-5
0.350
DAR-DIA-842b4336-11
0.350
WIL-UNI-5578df48-21
0.350
DAR-DIA-842b4336-13
0.350
MED-UNK-e6e8ef8a-6
0.350
CHR-SOS-70e4c98a-6
0.349
ANT-DIA-3c79be55-4
0.349
WIL-UNI-5578df48-22
0.349
NAU-LAT-64f4b287-10
0.349
KEI-TRE-d5e2018a-99
0.349
MAR-TRE-67513f76-32
0.349