Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(-c2nnc(CN3CCC=C(F)C3)s2)c1 |
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-ae34c249-7
0.747
MAK-UNK-ae34c249-1
0.634
MAK-UNK-ae34c249-4
0.557
MAK-UNK-ae34c249-3
0.539
MAK-UNK-8145c7a0-11
0.500
MAK-UNK-8145c7a0-12
0.438
WIL-UNI-5578df48-30
0.396
MAK-UNK-8145c7a0-10
0.393
MAK-UNK-009ebe36-2
0.381
WIL-UNI-5578df48-28
0.380
MAK-UNK-129dcd6f-2
0.379
AAR-POS-d2a4d1df-8
0.374
WIL-UNI-5578df48-22
0.371
WAR-XCH-eb7b662f-7
0.370
JAN-GHE-83b26c96-19
0.370
JOR-UNI-2fc98d0b-7
0.370
DAR-DIA-23aa0b97-14
0.370
WAR-XCH-eb7b662f-6
0.370
BAR-COM-21d20d65-4
0.365
BAR-COM-21d20d65-9
0.365
AHN-SAT-d468bb5b-1
0.364
WIL-UNI-5578df48-26
0.363
SAD-SAT-135344c3-7
0.361
WIL-UNI-5578df48-16
0.358
WIL-UNI-5578df48-21
0.358
MAK-UNK-8145c7a0-2
0.357
ANN-UNI-26382800-4
0.354
DAR-DIA-23aa0b97-5
0.354
WAR-XCH-eb7b662f-1
0.354
JOR-UNI-61e7b1d5-2
0.354
MAK-UNK-8145c7a0-8
0.354
MAK-UNK-8145c7a0-1
0.348
MAK-UNK-d1e89583-2
0.347
WIL-UNI-5578df48-19
0.347
ALE-HEI-f28a35b5-5
0.344
MAK-UNK-8145c7a0-9
0.342
WIL-UNI-5578df48-15
0.340
WIL-UNI-5578df48-24
0.340
BAR-COM-21d20d65-8
0.340
WIL-UNI-5578df48-25
0.339
BAR-COM-21d20d65-1
0.339
AAR-POS-d2a4d1df-11
0.337
MAK-UNK-d1e89583-7
0.337
CAS-DEP-167c18e3-4
0.337
BAR-COM-21d20d65-5
0.336
MAK-UNK-37f1d6fa-6
0.336
WIL-UNI-5578df48-20
0.333
WIL-UNI-5578df48-23
0.333
WAR-XCH-eb7b662f-3
0.333
BAR-COM-21d20d65-2
0.330
DAR-DIA-842b4336-2
0.330
MAK-UNK-de8f6d00-2
0.328
MAK-UNK-30aad1f1-6
0.327
WIL-UNI-5578df48-27
0.327
MAK-UNK-009ebe36-10
0.327
BAR-COM-21d20d65-7
0.327
MAK-UNK-129dcd6f-9
0.327
WAR-XCH-eb7b662f-5
0.327
DAR-DIA-842b4336-1
0.323
MAK-UNK-30aad1f1-8
0.321
MAK-UNK-10dfa458-24
0.321
BAR-COM-21d20d65-3
0.321
BAR-COM-21d20d65-6
0.321
SAD-SAT-cefd50cc-1
0.320
ALE-HEI-f28a35b5-4
0.320
TRY-UNI-bbd40bb4-4
0.318
SAD-SAT-689b7d5a-3
0.317
DAR-DIA-842b4336-7
0.316
WAR-XCH-eb7b662f-4
0.316
CHR-SOS-363cfb78-1
0.316
DAR-DIA-23aa0b97-15
0.316
SAD-SAT-f25ee457-8
0.314
WIL-UNI-5578df48-32
0.313
DAR-DIA-842b4336-3
0.312
DAR-DIA-842b4336-4
0.312
ANN-UNI-26382800-3
0.312
JOH-UNK-14e6adc5-2
0.312
JIA-UNI-12b1f9ae-1
0.311
SAD-SAT-135344c3-9
0.310
WIL-UNI-5578df48-29
0.310
WIL-UNI-5578df48-14
0.308
WIL-UNI-5578df48-31
0.307
DAR-DIA-842b4336-6
0.307
WIL-UNI-5578df48-18
0.306
IAN-BAS-df1706d7-1
0.305
WAR-XCH-eb7b662f-2
0.304
DAR-DIA-842b4336-5
0.303
DAR-DIA-842b4336-12
0.303
DAR-DIA-842b4336-8
0.303
ALE-MCD-4ac17b19-1
0.303
SAD-SAT-689b7d5a-8
0.302
MAR-TRE-67513f76-73
0.301
BAR-COM-5694a99d-1
0.300
MAK-UNK-37f1d6fa-7
0.298
MAR-TRE-3e4e6814-45
0.297
ASH-UNK-40b46b30-7
0.297
SAD-SAT-689b7d5a-5
0.296
WIL-UNI-5578df48-17
0.296
MAK-UNK-d1e89583-4
0.296
ASH-UNK-40b46b30-1
0.295