Molecular Properties | |
SMILES: | Nn1c(Cc2ccc(NC(=O)Nc3cccnc3)cc2)n[nH]c1=O |
MW: | 325.13 |
Fraction sp3: | 0.07 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 130.72 |
cLogP: | 0.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-15
0.521
WIL-UNI-5578df48-14
0.507
WIL-UNI-5578df48-17
0.481
AAR-POS-d2a4d1df-11
0.477
ANN-UNI-26382800-3
0.471
JOH-UNK-14e6adc5-2
0.471
MAK-UNK-30aad1f1-7
0.464
WIL-UNI-5578df48-16
0.458
MAK-UNK-10dfa458-16
0.427
MAK-UNK-d1e89583-1
0.417
DAR-DIA-842b4336-2
0.417
DAR-DIA-23aa0b97-15
0.417
MAK-UNK-10dfa458-31
0.417
MAK-UNK-129dcd6f-3
0.415
MAK-UNK-129dcd6f-12
0.410
DAR-DIA-842b4336-1
0.408
MAK-UNK-d1e89583-7
0.405
WAR-XCH-eb7b662f-3
0.403
MAK-UNK-ae34c249-7
0.402
ALE-MCD-4ac17b19-1
0.400
WIL-UNI-5578df48-26
0.398
CHR-SOS-363cfb78-1
0.395
MAK-UNK-30aad1f1-12
0.393
JOR-UNI-2fc98d0b-7
0.392
DAR-DIA-23aa0b97-14
0.392
WAR-XCH-eb7b662f-7
0.392
JAN-GHE-83b26c96-19
0.392
DAR-DIA-842b4336-3
0.392
MAK-UNK-a7b37c5e-5
0.392
DAR-DIA-842b4336-4
0.392
WAR-XCH-eb7b662f-6
0.392
WAR-XCH-eb7b662f-1
0.390
DAR-DIA-23aa0b97-5
0.390
ANN-UNI-26382800-4
0.390
JOR-UNI-61e7b1d5-2
0.390
WIL-UNI-5578df48-28
0.386
SAD-SAT-f25ee457-8
0.386
BAR-COM-21d20d65-9
0.384
WIL-UNI-5578df48-27
0.382
ALE-HEI-f28a35b5-4
0.382
BAR-COM-21d20d65-5
0.379
MAR-TRE-67513f76-81
0.379
MAK-UNK-a7b37c5e-4
0.378
WAR-XCH-eb7b662f-4
0.377
WIL-UNI-5578df48-21
0.377
DAR-DIA-842b4336-5
0.377
WIL-UNI-5578df48-20
0.376
BAR-COM-21d20d65-3
0.375
SAD-SAT-689b7d5a-3
0.375
ALE-HEI-f28a35b5-15
0.375
WIL-UNI-5578df48-29
0.374
WAR-XCH-eb7b662f-5
0.372
MAK-UNK-d1e89583-4
0.368
BAR-COM-21d20d65-4
0.368
BAR-COM-21d20d65-8
0.368
JOH-IMS-62aeb97d-5
0.368
MAK-UNK-ca11b4f7-1
0.368
DAR-DIA-842b4336-9
0.367
MAR-TRE-7f7bb9f0-74
0.367
JIA-UNI-12b1f9ae-1
0.366
SAD-SAT-24589cd1-4
0.365
MAK-UNK-d1e89583-2
0.364
SAD-SAT-cefd50cc-1
0.362
MAR-TRE-7f7bb9f0-56
0.362
WIL-UNI-5578df48-19
0.361
HUB-UNK-9845d277-3
0.360
MAK-UNK-10dfa458-24
0.360
MAR-TRE-2fd8122f-51
0.360
WIL-UNI-5578df48-23
0.360
DAR-DIA-842b4336-8
0.359
DAR-DIA-842b4336-7
0.359
DAR-DIA-842b4336-11
0.359
WIL-UNI-5578df48-22
0.358
WAR-XCH-eb7b662f-2
0.358
MAK-UNK-de8f6d00-3
0.356
BAR-COM-5694a99d-4
0.356
MAR-TRE-2fd8122f-68
0.356
BAR-COM-21d20d65-2
0.356
WIL-UNI-5578df48-31
0.355
TAM-UNI-c140e31a-19
0.354
WIL-UNI-5578df48-24
0.352
MAK-UNK-129dcd6f-9
0.352
WIL-UNI-5578df48-25
0.352
BAR-COM-21d20d65-1
0.352
SAN-PRS-52b81272-2
0.351
MAK-UNK-30aad1f1-6
0.351
SAD-SAT-689b7d5a-1
0.351
MAK-UNK-d1e89583-8
0.349
BAR-COM-5694a99d-1
0.348
BAR-COM-5694a99d-5
0.348
SAD-SAT-135344c3-7
0.348
MAK-UNK-d1e89583-5
0.346
DAR-DIA-842b4336-6
0.346
SAD-SAT-689b7d5a-5
0.345
BAR-COM-21d20d65-6
0.344
WIL-UNI-5578df48-30
0.344
MAR-TRE-2fd8122f-27
0.342
FRA-FAC-9ed5a63a-3
0.342
MAR-TRE-2fd8122f-78
0.341
IAN-BAS-df1706d7-1
0.341