Molecular Properties | |
SMILES: | O=C1CC(Oc2ccc(NC(=O)Nc3cccnc3)s2)N1 |
MW: | 304.06 |
Fraction sp3: | 0.15 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 92.35 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
betalactam
b-lactam
TRY-UNI-bbd40bb4-6
0.618
TRY-UNI-bbd40bb4-3
0.577
DAR-DIA-842b4336-4
0.515
DAR-DIA-842b4336-3
0.515
DAR-DIA-842b4336-5
0.493
AAR-POS-d2a4d1df-11
0.412
DAR-DIA-842b4336-1
0.408
RAL-MED-2de63afb-1
0.405
MAK-UNK-d1e89583-2
0.400
ALE-HEI-f28a35b5-4
0.400
DAR-DIA-842b4336-2
0.397
MAR-TRE-2fd8122f-27
0.397
MAK-UNK-d1e89583-7
0.387
ALE-HEI-f28a35b5-8
0.387
WAR-XCH-eb7b662f-3
0.384
SAD-SAT-689b7d5a-9
0.380
MAR-TRE-2fd8122f-81
0.380
DAR-DIA-842b4336-14
0.380
DAR-DIA-23aa0b97-15
0.378
WAR-XCH-eb7b662f-4
0.377
CHR-SOS-363cfb78-1
0.377
FRA-FAC-9ed5a63a-3
0.377
WAR-XCH-eb7b662f-6
0.373
WAR-XCH-eb7b662f-7
0.373
DAR-DIA-23aa0b97-14
0.373
JOR-UNI-2fc98d0b-7
0.373
JAN-GHE-83b26c96-19
0.373
JOH-UNK-14e6adc5-2
0.373
ANN-UNI-26382800-3
0.373
RAL-MED-2de63afb-4
0.372
ANN-UNI-26382800-4
0.372
DAR-DIA-23aa0b97-5
0.372
JOR-UNI-61e7b1d5-2
0.372
WAR-XCH-eb7b662f-1
0.372
MAK-UNK-d1e89583-4
0.368
JOH-IMS-62aeb97d-3
0.364
SAD-SAT-cefd50cc-1
0.362
DAR-DIA-842b4336-6
0.362
SAD-SAT-689b7d5a-5
0.360
WIL-UNI-5578df48-17
0.360
MAK-UNK-d1e89583-1
0.360
DAR-DIA-842b4336-7
0.359
DAR-DIA-842b4336-8
0.359
DAR-DIA-842b4336-13
0.359
DAR-DIA-842b4336-12
0.359
WIL-UNI-5578df48-21
0.359
MAR-TRE-67513f76-81
0.358
SAD-SAT-689b7d5a-3
0.358
WAR-XCH-eb7b662f-2
0.358
FRA-FAC-9ed5a63a-4
0.358
WIL-UNI-5578df48-22
0.358
BAR-COM-4e090d3a-39
0.356
MAR-TRE-7f7bb9f0-33
0.356
ALE-HEI-f28a35b5-15
0.356
CAS-DEP-e179b1f5-1
0.356
WAR-XCH-eb7b662f-5
0.354
WIL-UNI-5578df48-15
0.354
TAM-UNI-c140e31a-19
0.354
DAR-DIA-842b4336-9
0.350
MAK-UNK-ca11b4f7-1
0.348
JOH-IMS-62aeb97d-5
0.348
TRY-UNI-bbd40bb4-5
0.347
SAD-SAT-24589cd1-4
0.347
ALE-HEI-f28a35b5-9
0.346
AAR-POS-d2a4d1df-13
0.346
JOH-IMS-62aeb97d-1
0.346
FRA-FAC-9ed5a63a-1
0.346
MED-UNK-e6e8ef8a-4
0.346
WIL-UNI-5578df48-20
0.345
HUB-UNK-9845d277-3
0.345
WIL-UNI-5578df48-23
0.344
MAR-TRE-2fd8122f-38
0.344
BAR-COM-21d20d65-3
0.344
DAR-DIA-842b4336-11
0.342
ALE-HEI-f28a35b5-5
0.342
MED-UNK-e6e8ef8a-5
0.342
MAR-TRE-2fd8122f-18
0.341
WIL-UNI-5578df48-18
0.341
CHR-SOS-363cfb78-3
0.341
SAD-SAT-f25ee457-7
0.341
BAR-COM-21d20d65-2
0.341
WIL-UNI-5578df48-2
0.338
ALE-HEI-f28a35b5-14
0.338
JOH-IMS-62aeb97d-4
0.338
MAK-UNK-a7b37c5e-5
0.338
MED-UNK-e6e8ef8a-2
0.338
FRA-FAC-9ed5a63a-2
0.338
MED-UNK-e6e8ef8a-3
0.338
MAK-UNK-d1e89583-9
0.337
SAD-SAT-689b7d5a-8
0.337
WIL-UNI-5578df48-28
0.337
SAD-SAT-f25ee457-8
0.337
KEI-TRE-d5e2018a-77
0.337
BAR-COM-5694a99d-2
0.337
MAR-TRE-b77b7921-53
0.337
BAR-COM-21d20d65-4
0.337
WIL-UNI-5578df48-25
0.337
WIL-UNI-5578df48-27
0.337
SAD-SAT-689b7d5a-7
0.337
RAL-MED-2de63afb-9
0.333