Molecular Properties | |
SMILES: | NC(=O)NC(=O)Cc1ccc(NC(=O)Nc2cccnc2)cc1 |
MW: | 313.12 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 126.21 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-28
0.636
WIL-UNI-5578df48-14
0.582
WIL-UNI-5578df48-31
0.566
AAR-POS-d2a4d1df-11
0.561
WIL-UNI-5578df48-32
0.551
ANN-UNI-26382800-3
0.548
JOH-UNK-14e6adc5-2
0.548
WIL-UNI-5578df48-18
0.521
WIL-UNI-5578df48-36
0.513
WIL-UNI-5578df48-17
0.507
MAK-UNK-a7b37c5e-5
0.500
WIL-UNI-5578df48-16
0.500
MAK-UNK-30aad1f1-7
0.487
MAK-UNK-a7b37c5e-4
0.484
DAR-DIA-23aa0b97-15
0.484
MAR-TRE-67513f76-81
0.474
MAK-UNK-10dfa458-31
0.474
MAK-UNK-10dfa458-16
0.467
MAK-UNK-d1e89583-1
0.462
DAR-DIA-842b4336-2
0.462
DAR-DIA-842b4336-5
0.456
MAK-UNK-129dcd6f-3
0.453
SAN-PRS-52b81272-2
0.453
DAR-DIA-842b4336-1
0.453
MAK-UNK-d1e89583-7
0.448
MAK-UNK-30aad1f1-12
0.447
WAR-XCH-eb7b662f-3
0.446
DAR-DIA-842b4336-9
0.443
ALE-HEI-f28a35b5-4
0.441
DAR-DIA-842b4336-14
0.437
WAR-XCH-eb7b662f-4
0.435
CHR-SOS-363cfb78-1
0.435
MAK-UNK-ca11b4f7-1
0.433
JOH-IMS-62aeb97d-5
0.433
DAR-DIA-23aa0b97-14
0.433
DAR-DIA-842b4336-4
0.433
WAR-XCH-eb7b662f-7
0.433
JOR-UNI-2fc98d0b-7
0.433
JAN-GHE-83b26c96-19
0.433
WAR-XCH-eb7b662f-6
0.433
ANN-UNI-26382800-4
0.429
JOR-UNI-61e7b1d5-2
0.429
DAR-DIA-23aa0b97-5
0.429
WAR-XCH-eb7b662f-1
0.429
MAK-UNK-129dcd6f-12
0.429
SAD-SAT-24589cd1-4
0.424
MAR-TRE-7f7bb9f0-74
0.423
ALE-MCD-4ac17b19-1
0.418
BAR-COM-21d20d65-8
0.418
BAR-COM-21d20d65-9
0.418
MAK-UNK-ae34c249-7
0.418
SAD-SAT-cefd50cc-1
0.417
WIL-UNI-5578df48-26
0.416
ALE-HEI-f28a35b5-15
0.415
DAR-DIA-842b4336-7
0.414
WIL-UNI-5578df48-21
0.414
DAR-DIA-842b4336-11
0.414
DAR-DIA-842b4336-3
0.412
SAD-SAT-689b7d5a-3
0.411
WAR-XCH-eb7b662f-2
0.411
WAR-XCH-eb7b662f-5
0.408
IAN-BAS-df1706d7-1
0.408
MAK-UNK-d1e89583-4
0.406
DAR-DIA-842b4336-10
0.406
SAD-SAT-f25ee457-8
0.403
MAK-UNK-c749d764-17
0.400
JIA-UNI-12b1f9ae-1
0.400
MAK-UNK-a7b37c5e-1
0.400
MAK-UNK-d1e89583-2
0.400
BAR-COM-21d20d65-4
0.400
MAK-UNK-d1e89583-8
0.400
WIL-UNI-5578df48-24
0.400
DAR-DIA-23aa0b97-16
0.400
BAR-COM-21d20d65-1
0.398
MAR-TRE-7f7bb9f0-56
0.397
DAR-DIA-842b4336-6
0.397
SAD-SAT-689b7d5a-1
0.395
MAK-UNK-c749d764-13
0.395
WIL-UNI-5578df48-19
0.395
ALE-HEI-f28a35b5-5
0.394
DAR-DIA-842b4336-13
0.394
EDG-MED-0da5ad92-2
0.394
DAR-DIA-842b4336-8
0.394
ALE-HEI-f28a35b5-14
0.394
MAK-UNK-37f1d6fa-7
0.394
SAD-SAT-135344c3-7
0.393
WIL-UNI-5578df48-22
0.392
MAK-UNK-10dfa458-24
0.390
DAR-DIA-842b4336-16
0.389
WIL-UNI-5578df48-29
0.388
TAM-UNI-c140e31a-19
0.387
ANN-UNI-26382800-5
0.387
DAR-DIA-23aa0b97-17
0.387
DAR-DIA-842b4336-15
0.387
SAD-SAT-689b7d5a-8
0.385
MAK-UNK-c749d764-27
0.384
MAK-UNK-de8f6d00-3
0.383
MAK-UNK-129dcd6f-2
0.383
MAR-TRE-7f7bb9f0-90
0.382
CHA-MCP-85291e1d-2
0.382