Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1ccccc1-c1nnc(CN2CCC=C(F)C2)s1 |
MW: | 410.478 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 83.04 |
cLogP: | 4.3032 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-ae34c249-4
0.660
MAK-UNK-ae34c249-7
0.649
MAK-UNK-ae34c249-2
0.634
MAK-UNK-ae34c249-3
0.519
MAK-UNK-8145c7a0-10
0.481
HUB-UNK-9845d277-3
0.396
MAK-UNK-129dcd6f-5
0.392
JIA-UNI-12b1f9ae-1
0.388
MAK-UNK-d1e89583-2
0.387
MAK-UNK-8145c7a0-12
0.382
MAK-UNK-8145c7a0-11
0.379
AAR-POS-d2a4d1df-8
0.370
HUB-UNK-9845d277-4
0.368
BAR-COM-5694a99d-1
0.358
MAK-UNK-8145c7a0-2
0.354
IAN-BAS-df1706d7-1
0.353
MAK-UNK-8145c7a0-8
0.351
MAK-UNK-8145c7a0-9
0.351
BAR-COM-5694a99d-5
0.346
MAK-UNK-8145c7a0-1
0.345
SAD-SAT-cefd50cc-1
0.343
BAR-COM-21d20d65-9
0.336
BAR-COM-5694a99d-2
0.336
MAK-UNK-30aad1f1-14
0.333
HUB-UNK-9845d277-14
0.330
SAD-SAT-689b7d5a-5
0.330
MAK-UNK-37f1d6fa-1
0.328
ASH-UNK-40b46b30-7
0.328
BAR-COM-5694a99d-4
0.327
SAD-SAT-689b7d5a-1
0.325
MAK-UNK-30aad1f1-1
0.325
BAR-COM-5694a99d-3
0.324
SAD-SAT-689b7d5a-8
0.324
WIL-UNI-5578df48-26
0.321
MAK-UNK-de8f6d00-5
0.320
MAK-UNK-d1e89583-4
0.320
MAK-UNK-d1e89583-7
0.320
AAR-POS-d2a4d1df-11
0.319
WIL-UNI-5578df48-30
0.319
WIL-UNI-5578df48-16
0.318
ALE-HEI-f28a35b5-4
0.316
WAR-XCH-6eb0722e-6
0.316
CHR-SOS-363cfb78-3
0.315
SAD-SAT-f25ee457-7
0.315
MAK-UNK-009ebe36-2
0.315
JOR-UNI-61e7b1d5-1
0.315
WIL-UNI-5578df48-22
0.314
ALE-HEI-f28a35b5-5
0.313
WAR-XCH-6eb0722e-2
0.313
WAR-XCH-6eb0722e-5
0.312
LON-WEI-5e7d1b3e-22
0.312
DAR-DIA-842b4336-2
0.312
LON-WEI-4d77710c-22
0.312
STE-LAU-aafa5dff-1
0.312
ALE-MCD-4ac17b19-1
0.312
WAR-XCH-6eb0722e-4
0.310
DAR-DIA-842b4336-3
0.309
DAR-DIA-842b4336-4
0.309
WAR-XCH-6eb0722e-3
0.308
WAR-XCH-6eb0722e-1
0.307
MAK-UNK-129dcd6f-4
0.306
DAR-DIA-842b4336-1
0.305
HUB-UNK-9845d277-16
0.303
WAR-XCH-eb7b662f-3
0.302
SAD-SAT-689b7d5a-7
0.302
MAK-UNK-37f1d6fa-6
0.302
BAR-COM-21d20d65-1
0.301
MAK-UNK-009ebe36-10
0.301
WIL-UNI-5578df48-21
0.300
MAK-UNK-129dcd6f-9
0.300
BAR-COM-21d20d65-4
0.300
CHR-SOS-363cfb78-1
0.300
DAR-DIA-842b4336-5
0.300
DAR-DIA-23aa0b97-15
0.299
TAM-UNI-c140e31a-19
0.298
NAU-LAT-2fed8305-4
0.297
BAR-COM-21d20d65-5
0.297
WAR-XCH-eb7b662f-6
0.296
JOR-UNI-2fc98d0b-7
0.296
JAN-GHE-83b26c96-19
0.296
WAR-XCH-eb7b662f-7
0.296
DAR-DIA-23aa0b97-14
0.296
ANN-UNI-26382800-3
0.296
JOH-UNK-14e6adc5-2
0.296
MAK-UNK-10dfa458-24
0.295
WIL-UNI-5578df48-19
0.292
MAK-UNK-009ebe36-8
0.292
SAD-SAT-689b7d5a-9
0.291
EMI-TUK-a58865cc-1
0.291
TRY-UNI-bbd40bb4-4
0.291
MAR-TRE-7f7bb9f0-76
0.291
SAD-SAT-689b7d5a-2
0.291
WIL-UNI-5578df48-25
0.289
SAD-SAT-689b7d5a-3
0.288
WIL-UNI-5578df48-24
0.288
BAR-COM-21d20d65-8
0.288
WAR-XCH-eb7b662f-4
0.287
WIL-UNI-5578df48-28
0.287
TAM-UNI-c140e31a-13
0.287
SAD-SAT-135344c3-7
0.287