Molecular Properties | |
SMILES: | CC(=O)NCCOc1ccccc1NC(=O)Nc1cccnc1 |
MW: | 314.345 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 92.35 |
cLogP: | 2.2405 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
AAR-POS-d2a4d1df-11
SAD-SAT-689b7d5a-5
0.494
MAK-UNK-129dcd6f-5
0.469
JIA-UNI-12b1f9ae-1
0.449
BAR-COM-5694a99d-3
0.446
MAK-UNK-d1e89583-4
0.438
BAR-COM-5694a99d-4
0.434
SAD-SAT-cefd50cc-1
0.429
AAR-POS-d2a4d1df-11
0.426
MAK-UNK-30aad1f1-14
0.424
IAN-BAS-df1706d7-1
0.420
MAK-UNK-d1e89583-2
0.413
STE-LAU-aafa5dff-1
0.412
ASH-UNK-40b46b30-7
0.409
ALE-HEI-f28a35b5-15
0.408
BAR-COM-5694a99d-1
0.407
BAR-COM-5694a99d-5
0.407
MAK-UNK-30aad1f1-1
0.407
HUB-UNK-9845d277-3
0.405
DAR-DIA-842b4336-1
0.403
MAK-UNK-129dcd6f-4
0.402
TAM-UNI-c140e31a-19
0.400
JOR-UNI-61e7b1d5-1
0.400
SAD-SAT-f25ee457-7
0.398
SAD-SAT-689b7d5a-8
0.398
ALE-MCD-4ac17b19-1
0.395
MAK-UNK-129dcd6f-3
0.393
DAR-DIA-842b4336-2
0.392
MAK-UNK-d1e89583-1
0.392
SAD-SAT-689b7d5a-1
0.391
DAR-DIA-842b4336-7
0.390
KEI-TRE-d5e2018a-98
0.387
WAR-XCH-eb7b662f-6
0.387
DAR-DIA-842b4336-3
0.387
JOH-IMS-62aeb97d-5
0.382
MAK-UNK-ca11b4f7-1
0.382
CHR-SOS-363cfb78-3
0.382
WAR-XCH-6eb0722e-6
0.380
MAK-UNK-129dcd6f-2
0.379
WAR-XCH-eb7b662f-3
0.378
MAK-UNK-d1e89583-8
0.378
LON-WEI-4d77710c-22
0.378
WAR-XCH-6eb0722e-5
0.378
LON-WEI-5e7d1b3e-22
0.378
ALE-HEI-f28a35b5-4
0.377
WAR-XCH-6eb0722e-2
0.376
SAD-SAT-689b7d5a-7
0.376
WAR-XCH-6eb0722e-4
0.374
WIL-UNI-5578df48-14
0.373
DAR-DIA-23aa0b97-15
0.373
DAR-DIA-842b4336-8
0.372
WIL-UNI-5578df48-21
0.372
HUB-UNK-9845d277-4
0.371
WIL-UNI-5578df48-22
0.370
WAR-XCH-6eb0722e-1
0.370
JOR-UNI-2fc98d0b-7
0.368
JAN-GHE-83b26c96-19
0.368
DAR-DIA-23aa0b97-14
0.368
WAR-XCH-eb7b662f-7
0.368
DAR-DIA-842b4336-4
0.368
WAR-XCH-6eb0722e-3
0.368
ANN-UNI-26382800-3
0.368
JOH-UNK-14e6adc5-2
0.368
MAK-UNK-ca11b4f7-3
0.368
WAR-XCH-eb7b662f-5
0.367
KEI-TRE-d5e2018a-44
0.365
MAK-UNK-d1e89583-7
0.364
MAK-UNK-37f1d6fa-1
0.362
SAD-SAT-689b7d5a-4
0.361
CHA-MCP-85291e1d-1
0.360
WIL-UNI-5578df48-26
0.360
BAR-COM-21d20d65-5
0.360
MAK-UNK-d1e89583-6
0.358
MAR-TRE-2fd8122f-79
0.358
DAR-DIA-842b4336-6
0.358
MAK-UNK-129dcd6f-12
0.356
HUB-UNK-9845d277-14
0.356
CHR-SOS-363cfb78-1
0.354
DAR-DIA-842b4336-5
0.354
WAR-XCH-eb7b662f-4
0.354
SAD-SAT-689b7d5a-3
0.354
ADA-UNI-f8e79267-4
0.353
MAR-TRE-67513f76-81
0.353
MAK-UNK-de8f6d00-5
0.352
CHR-SOS-363cfb78-4
0.351
ANN-UNI-26382800-4
0.350
WAR-XCH-eb7b662f-1
0.350
DAR-DIA-23aa0b97-5
0.350
JOR-UNI-61e7b1d5-2
0.350
WIL-UNI-5578df48-15
0.349
SAD-SAT-f25ee457-8
0.349
MAR-TRE-2fd8122f-82
0.348
MAK-UNK-129dcd6f-9
0.348
DUN-NEW-f8ce3686-9
0.347
SAN-PRS-52b81272-2
0.347
ALE-HEI-f28a35b5-8
0.346
MAK-UNK-129dcd6f-6
0.346
MAK-UNK-c749d764-27
0.346
DAR-DIA-842b4336-9
0.346
DUN-NEW-f8ce3686-8
0.344
MAK-UNK-c749d764-17
0.342