Molecular Properties | |
SMILES: | N#Cc1cccc(N(CCN2CCOCC2)C(=O)Nc2cccnc2)c1 |
MW: | 351.41 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 81.49 |
cLogP: | 2.32398 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-10
0.867
JOR-UNI-61e7b1d5-30
0.780
JOR-UNI-61e7b1d5-28
0.780
JOR-UNI-61e7b1d5-26
0.771
JOR-UNI-61e7b1d5-24
0.762
JOR-UNI-61e7b1d5-3
0.738
JOR-UNI-2fc98d0b-6
0.714
JOR-UNI-61e7b1d5-9
0.663
JOR-UNI-61e7b1d5-7
0.643
JOR-UNI-2fc98d0b-9
0.624
JOR-UNI-61e7b1d5-18
0.618
JOR-UNI-61e7b1d5-14
0.604
JOR-UNI-61e7b1d5-12
0.593
JOR-UNI-61e7b1d5-17
0.592
JOR-UNI-61e7b1d5-5
0.587
JOR-UNI-61e7b1d5-22
0.574
JOR-UNI-61e7b1d5-20
0.554
JOR-UNI-2fc98d0b-10
0.548
JOR-UNI-2fc98d0b-11
0.543
JOR-UNI-2fc98d0b-17
0.543
JOR-UNI-2fc98d0b-13
0.532
JOR-UNI-2fc98d0b-1
0.527
JOR-UNI-61e7b1d5-11
0.523
JOR-UNI-2fc98d0b-15
0.521
JOR-UNI-61e7b1d5-4
0.490
JOR-UNI-61e7b1d5-29
0.457
JOR-UNI-61e7b1d5-31
0.453
JOR-UNI-61e7b1d5-27
0.453
JOR-UNI-61e7b1d5-25
0.444
JOR-UNI-2fc98d0b-8
0.441
ERI-UCB-ce40166b-23
0.433
JOR-UNI-2fc98d0b-2
0.426
JOR-UNI-2fc98d0b-12
0.424
JOR-UNI-2fc98d0b-4
0.420
JOR-UNI-2fc98d0b-5
0.420
ANN-UNI-26382800-5
0.416
JOR-UNI-2fc98d0b-16
0.414
SAD-SAT-24589cd1-6
0.408
JOR-UNI-61e7b1d5-15
0.407
JOR-UNI-2fc98d0b-3
0.406
JOR-UNI-61e7b1d5-13
0.398
JOR-UNI-2fc98d0b-14
0.398
EMI-TUK-a58865cc-6
0.394
SAD-SAT-f25ee457-3
0.393
EMI-TUK-a58865cc-5
0.391
JOR-UNI-61e7b1d5-6
0.391
JOR-UNI-61e7b1d5-23
0.387
JOR-UNI-61e7b1d5-2
0.386
DAR-DIA-23aa0b97-5
0.386
WAR-XCH-eb7b662f-1
0.386
ANN-UNI-26382800-4
0.386
EMI-TUK-a58865cc-7
0.383
EMI-TUK-a58865cc-4
0.375
WIL-UNI-5578df48-3
0.370
JOR-UNI-61e7b1d5-19
0.369
JOR-UNI-61e7b1d5-8
0.368
WIL-UNI-5578df48-2
0.357
DAR-DIA-23aa0b97-17
0.355
JOR-UNI-61e7b1d5-21
0.355
KAY-MCD-59dc2eb3-1
0.348
CHR-SOS-363cfb78-1
0.344
DAR-DIA-23aa0b97-4
0.344
ASH-UNK-40b46b30-3
0.344
EMI-TUK-a58865cc-3
0.344
JOH-UNI-abdb2f0c-2
0.339
GAB-REV-70cc3ca5-19
0.337
KEI-TRE-d5e2018a-22
0.333
KEI-TRE-d5e2018a-13
0.333
KEI-TRE-d5e2018a-36
0.333
MAK-UNK-f0bfc2e0-1
0.333
MAK-UNK-748f8b7a-6
0.330
KEI-TRE-d5e2018a-52
0.330
MAR-TRE-2fd8122f-31
0.330
EMI-TUK-a58865cc-1
0.330
VLA-UCB-34f3ed0c-13
0.327
WIL-UNI-5578df48-33
0.327
MAR-TRE-67513f76-51
0.327
JOH-UNK-14e6adc5-2
0.326
ANN-UNI-26382800-3
0.326
MAR-TRE-3e4e6814-92
0.324
MAR-TRE-2fd8122f-94
0.324
MAR-TRE-2fd8122f-88
0.324
ASH-UNK-40b46b30-9
0.323
MAR-TRE-2fd8122f-69
0.323
SAD-SAT-135344c3-1
0.321
KEI-TRE-d5e2018a-9
0.321
MAR-TRE-2fd8122f-89
0.320
EMI-TUK-a58865cc-2
0.320
KEI-TRE-d5e2018a-32
0.320
MAR-TRE-3e4e6814-34
0.320
WIL-UNI-5578df48-1
0.319
MAK-UNK-009ebe36-4
0.318
KEI-TRE-d5e2018a-10
0.317
ASH-UNK-40b46b30-1
0.317
JOH-UNI-abdb2f0c-1
0.317
MAR-TRE-2fd8122f-15
0.317
MAR-TRE-2fd8122f-96
0.317
NAU-LAT-445f63e5-6
0.317
WAR-XCH-eb7b662f-2
0.316
MAR-TRE-2fd8122f-57
0.316