Molecular Properties | |
SMILES: | CCNc1ncc(C#N)cc1NC(=O)Nc1cccnc1 |
MW: | 282.307 |
Fraction sp3: | 0.14 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 102.73 |
cLogP: | 2.42408 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-SGC-0f1d26ed-1
0.701
TRY-UNI-1fd04853-2
0.639
CHR-SOS-363cfb78-1
0.514
ANN-UNI-26382800-3
0.493
JOH-UNK-14e6adc5-2
0.493
WAR-XCH-6eb0722e-1
0.488
DAR-DIA-23aa0b97-5
0.486
ANN-UNI-26382800-4
0.486
JOR-UNI-61e7b1d5-2
0.486
WAR-XCH-eb7b662f-1
0.486
MAK-UNK-30aad1f1-14
0.481
JOR-UNI-61e7b1d5-8
0.477
MAK-UNK-30aad1f1-1
0.477
WAR-XCH-eb7b662f-2
0.467
WAR-XCH-6eb0722e-3
0.466
SID-ELM-433ea7f3-3
0.464
JOR-UNI-61e7b1d5-23
0.463
JOR-UNI-61e7b1d5-13
0.462
JOR-UNI-61e7b1d5-4
0.457
JOR-UNI-61e7b1d5-15
0.457
JOR-UNI-61e7b1d5-21
0.457
SID-ELM-433ea7f3-4
0.455
JOR-UNI-61e7b1d5-6
0.453
MAK-UNK-30aad1f1-7
0.447
MAK-UNK-30aad1f1-12
0.444
MAK-UNK-30aad1f1-6
0.443
IAN-BAS-df1706d7-1
0.443
JOR-UNI-61e7b1d5-19
0.442
MAK-UNK-30aad1f1-8
0.440
DAR-DIA-842b4336-9
0.440
MAK-UNK-51bb34f9-2
0.440
JOR-UNI-61e7b1d5-29
0.438
MAK-UNK-51bb34f9-3
0.433
JOR-UNI-61e7b1d5-27
0.433
JOR-UNI-61e7b1d5-31
0.433
DAR-DIA-842b4336-5
0.432
WIL-UNI-5578df48-19
0.430
MAK-UNK-d1e89583-4
0.425
JOR-UNI-61e7b1d5-17
0.424
JOR-UNI-61e7b1d5-25
0.424
SID-ELM-433ea7f3-1
0.424
TAM-UNI-c140e31a-19
0.423
DAR-DIA-23aa0b97-17
0.423
SAD-SAT-689b7d5a-8
0.420
MAK-UNK-d1e89583-2
0.419
STE-LAU-aafa5dff-1
0.417
BAR-COM-5694a99d-3
0.417
DAR-DIA-842b4336-6
0.416
WIL-UNI-5578df48-21
0.413
AAR-POS-d2a4d1df-11
0.412
WAR-XCH-eb7b662f-6
0.411
SAD-SAT-689b7d5a-5
0.410
DAR-DIA-842b4336-1
0.408
WAR-XCH-eb7b662f-5
0.408
BAR-COM-21d20d65-6
0.407
MAK-UNK-10dfa458-24
0.407
PET-SGC-0f1d26ed-2
0.405
BAR-COM-5694a99d-4
0.405
WAR-XCH-eb7b662f-3
0.403
CHR-SOS-363cfb78-3
0.402
SID-ELM-433ea7f3-2
0.402
BAR-COM-5694a99d-2
0.400
ALE-HEI-f28a35b5-4
0.400
SAD-SAT-cefd50cc-10
0.400
WIL-UNI-5578df48-31
0.400
JIA-UNI-12b1f9ae-1
0.400
WAR-XCH-6eb0722e-5
0.398
SAD-SAT-cefd50cc-1
0.397
DAR-DIA-842b4336-2
0.397
DAR-DIA-23aa0b97-15
0.397
JOR-UNI-61e7b1d5-11
0.396
BAR-COM-21d20d65-5
0.395
WAR-XCH-eb7b662f-4
0.395
WAR-XCH-6eb0722e-4
0.393
MAK-UNK-516d8086-18
0.393
HUB-UNK-9845d277-3
0.393
WIL-UNI-5578df48-22
0.392
SAD-SAT-689b7d5a-3
0.392
JOR-UNI-2fc98d0b-7
0.392
JAN-GHE-83b26c96-19
0.392
WAR-XCH-eb7b662f-7
0.392
DAR-DIA-23aa0b97-14
0.392
DAR-DIA-842b4336-3
0.392
MAK-UNK-129dcd6f-4
0.391
JOH-IMS-62aeb97d-5
0.388
ANN-UNI-26382800-5
0.388
MAK-UNK-d1e89583-7
0.387
SAD-SAT-f25ee457-7
0.386
DAR-DIA-23aa0b97-10
0.386
MAK-UNK-10dfa458-31
0.384
BAR-COM-21d20d65-8
0.384
WIL-UNI-5578df48-24
0.384
BAR-COM-21d20d65-9
0.384
CHR-SOS-363cfb78-4
0.383
MAR-TRE-2fd8122f-69
0.383
WIL-UNI-5578df48-25
0.382
BAR-COM-21d20d65-7
0.382
CHR-SOS-363cfb78-5
0.381
WIL-UNI-5578df48-26
0.381
NIR-THE-0d6461ce-7
0.379