Molecular Properties | |
SMILES: | CC(C)(C#N)c1cc(CC(=O)NC(N)=O)cc(NC(=O)Nc2cccnc2)c1 |
MW: | 380.16 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 150.0 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-32
0.600
WIL-UNI-5578df48-15
0.566
WIL-UNI-5578df48-28
0.557
WIL-UNI-5578df48-19
0.532
SAD-SAT-689b7d5a-3
0.475
WIL-UNI-5578df48-21
0.443
WIL-UNI-5578df48-22
0.422
WAR-XCH-eb7b662f-2
0.422
WAR-XCH-eb7b662f-3
0.416
DAR-DIA-842b4336-2
0.410
WAR-XCH-eb7b662f-4
0.407
CHR-SOS-363cfb78-1
0.407
AAR-POS-d2a4d1df-11
0.405
JOH-UNK-14e6adc5-2
0.405
WAR-XCH-eb7b662f-6
0.405
ANN-UNI-26382800-3
0.405
SAD-SAT-689b7d5a-5
0.404
JOR-UNI-61e7b1d5-2
0.402
DAR-DIA-23aa0b97-5
0.402
WAR-XCH-eb7b662f-5
0.402
WAR-XCH-eb7b662f-1
0.402
ANN-UNI-26382800-4
0.402
BAR-COM-21d20d65-6
0.402
JOR-UNI-61e7b1d5-1
0.400
SAD-SAT-689b7d5a-8
0.398
DAR-DIA-842b4336-9
0.398
MAK-UNK-10dfa458-31
0.396
BAR-COM-21d20d65-9
0.396
BAR-COM-21d20d65-8
0.396
DAR-DIA-23aa0b97-15
0.392
DAR-DIA-842b4336-5
0.390
MAK-UNK-10dfa458-24
0.387
WIL-UNI-5578df48-35
0.387
IAN-BAS-df1706d7-1
0.386
WIL-UNI-5578df48-24
0.380
BAR-COM-21d20d65-1
0.379
BAR-COM-21d20d65-7
0.379
ALE-HEI-f28a35b5-4
0.378
WIL-UNI-5578df48-26
0.378
WIL-UNI-5578df48-33
0.378
MAK-UNK-30aad1f1-6
0.378
SAD-SAT-689b7d5a-1
0.378
DAR-DIA-842b4336-6
0.376
WIL-UNI-5578df48-14
0.375
SAD-SAT-135344c3-7
0.375
DAR-DIA-842b4336-7
0.373
WIL-UNI-5578df48-29
0.371
WIL-UNI-5578df48-36
0.371
WAR-XCH-6eb0722e-1
0.371
JOR-UNI-2fc98d0b-7
0.370
JAN-GHE-83b26c96-19
0.370
DAR-DIA-23aa0b97-14
0.370
WAR-XCH-eb7b662f-7
0.370
DAR-DIA-23aa0b97-17
0.368
DAR-DIA-842b4336-1
0.367
MAK-UNK-d1e89583-7
0.366
MAK-UNK-d1e89583-4
0.366
BAR-COM-5694a99d-3
0.366
WIL-UNI-5578df48-25
0.365
MAK-UNK-30aad1f1-7
0.365
BAR-COM-21d20d65-5
0.362
MAK-UNK-d1e89583-2
0.361
MAK-UNK-c749d764-17
0.361
DAR-DIA-23aa0b97-16
0.361
DAR-DIA-842b4336-14
0.360
MAK-UNK-30aad1f1-8
0.358
WAR-XCH-6eb0722e-3
0.356
MAR-TRE-67513f76-81
0.356
WIL-UNI-5578df48-18
0.355
BAR-COM-21d20d65-2
0.354
DAR-DIA-842b4336-3
0.354
DAR-DIA-842b4336-4
0.354
ANN-UNI-26382800-5
0.352
BAR-COM-21d20d65-4
0.351
WIL-UNI-5578df48-27
0.351
MAK-UNK-30aad1f1-1
0.350
JIA-UNI-12b1f9ae-1
0.348
MAK-UNK-30aad1f1-14
0.347
WAR-XCH-6eb0722e-4
0.347
JOH-IMS-62aeb97d-5
0.347
HUB-UNK-9845d277-4
0.346
SAD-SAT-24589cd1-4
0.346
SAD-SAT-cefd50cc-1
0.345
MAK-UNK-30aad1f1-12
0.344
MAK-UNK-10dfa458-16
0.344
MAR-TRE-f6f5f473-75
0.344
WIL-UNI-5578df48-16
0.344
BAR-COM-21d20d65-3
0.344
MAK-UNK-51bb34f9-3
0.343
MAK-UNK-d1e89583-1
0.341
MAK-UNK-a7b37c5e-4
0.341
DAR-DIA-842b4336-8
0.341
DAR-DIA-842b4336-11
0.341
NAU-LAT-445f63e5-6
0.340
BAR-COM-5694a99d-4
0.340
SAD-SAT-f25ee457-7
0.340
JOR-UNI-61e7b1d5-8
0.340
CHR-SOS-363cfb78-4
0.340
ALE-HEI-f28a35b5-15
0.338
TAM-UNI-c140e31a-19
0.337