Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)Nc1cccc(-c2ccnc(N3CCC4(CCOC4)C3)c2)c1 |
MW: | 415.2 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 79.38 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-0daf6b7e-27
0.418
MAK-UNK-129dcd6f-2
0.416
SAN-PRI-c9355cc8-2
0.398
SAN-PRI-c9355cc8-1
0.391
WIL-UNI-5578df48-21
0.383
JAN-GHE-83b26c96-19
0.380
JOR-UNI-2fc98d0b-7
0.380
WAR-XCH-eb7b662f-7
0.380
DAR-DIA-23aa0b97-14
0.380
WIL-UNI-5578df48-19
0.370
WIL-UNI-5578df48-22
0.367
WAR-XCH-eb7b662f-6
0.366
JOR-UNI-61e7b1d5-2
0.365
ANN-UNI-26382800-4
0.365
WAR-XCH-eb7b662f-1
0.365
DAR-DIA-23aa0b97-5
0.365
MAK-UNK-ae34c249-2
0.364
BAR-COM-21d20d65-4
0.362
CAS-DEP-167c18e3-4
0.360
WIL-UNI-5578df48-20
0.356
WIL-UNI-5578df48-30
0.355
MAK-UNK-009ebe36-2
0.352
BAR-COM-21d20d65-7
0.349
BAR-COM-21d20d65-5
0.346
WIL-UNI-5578df48-23
0.343
WIL-UNI-5578df48-28
0.337
BAR-COM-21d20d65-8
0.336
BAR-COM-21d20d65-1
0.336
WIL-UNI-5578df48-26
0.333
MAK-UNK-129dcd6f-3
0.333
MAK-UNK-d1e89583-7
0.333
SAD-SAT-135344c3-7
0.333
DAR-DIA-842b4336-9
0.333
WIL-UNI-5578df48-29
0.330
MAK-UNK-30aad1f1-8
0.330
WAR-XCH-eb7b662f-3
0.330
BAR-COM-21d20d65-2
0.327
WAR-XCH-eb7b662f-4
0.327
DAR-DIA-23aa0b97-15
0.326
DAR-DIA-842b4336-2
0.326
MAK-UNK-30aad1f1-6
0.325
MAK-UNK-129dcd6f-9
0.324
WIL-UNI-5578df48-24
0.324
WAR-XCH-eb7b662f-5
0.323
DAR-DIA-842b4336-1
0.319
AAR-POS-d2a4d1df-11
0.319
MAK-UNK-10dfa458-24
0.318
MAR-TRE-2fd8122f-38
0.318
RAF-UNK-26121f85-10
0.317
SAD-SAT-cefd50cc-1
0.317
NAU-LAT-445f63e5-6
0.315
MAK-UNK-de8f6d00-2
0.315
FRA-FAC-9ed5a63a-4
0.314
CHR-SOS-363cfb78-1
0.313
DAR-DIA-842b4336-7
0.313
RAF-UNK-26121f85-3
0.313
WIL-UNI-5578df48-27
0.312
WIL-UNI-5578df48-25
0.312
ALE-MCD-4ac17b19-1
0.312
BAR-COM-21d20d65-9
0.312
MAR-TRE-b77b7921-91
0.311
SAD-SAT-135344c3-2
0.309
BAR-COM-21d20d65-3
0.306
BAR-COM-21d20d65-6
0.306
MAK-UNK-d1e89583-4
0.306
ALE-HEI-f28a35b5-8
0.306
WIL-UNI-5578df48-17
0.306
MAK-UNK-129dcd6f-12
0.306
RAF-UNK-26121f85-6
0.305
RAF-UNK-26121f85-7
0.305
DAR-DIA-842b4336-6
0.304
MAK-UNK-d1e89583-2
0.303
JOR-UNI-61e7b1d5-1
0.303
SAD-SAT-689b7d5a-7
0.302
WAR-XCH-eb7b662f-2
0.301
SAD-SAT-689b7d5a-3
0.301
MED-UNK-e6e8ef8a-6
0.300
MAK-UNK-10dfa458-31
0.300
DAR-DIA-842b4336-8
0.300
SAD-SAT-689b7d5a-8
0.299
SAD-SAT-f25ee457-8
0.299
WIL-UNI-5578df48-15
0.298
TAM-UNI-c140e31a-19
0.298
MAK-UNK-d1e89583-9
0.298
MAT-POS-13203bf4-1
0.297
JOH-UNK-14e6adc5-2
0.296
DAR-DIA-842b4336-4
0.296
ANN-UNI-26382800-3
0.296
DAR-DIA-842b4336-3
0.296
DOU-UNK-b5326f8f-19
0.296
SAD-SAT-135344c3-1
0.296
WIL-UNI-5578df48-16
0.295
KEI-TRE-d5e2018a-22
0.295
HUB-UNK-9845d277-14
0.295
MAK-UNK-009ebe36-4
0.293
MAR-TRE-2fd8122f-8
0.293
JOH-UNI-abdb2f0c-1
0.292
KEI-TRE-d5e2018a-52
0.292
SAD-SAT-135344c3-3
0.292
JOH-UNI-abdb2f0c-2
0.292