Molecular Properties | |
SMILES: | N#Cc1cccc(N(CCN2CCCCC2)C(=O)Nc2cccnc2)c1 |
MW: | 349.438 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 72.26 |
cLogP: | 3.47768 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-28
0.823
JOR-UNI-61e7b1d5-26
0.790
JOR-UNI-61e7b1d5-16
0.780
JOR-UNI-61e7b1d5-24
0.780
JOR-UNI-61e7b1d5-10
0.759
JOR-UNI-2fc98d0b-17
0.707
JOR-UNI-61e7b1d5-18
0.690
JOR-UNI-61e7b1d5-9
0.679
JOR-UNI-61e7b1d5-7
0.659
JOR-UNI-61e7b1d5-14
0.636
JOR-UNI-61e7b1d5-12
0.607
JOR-UNI-61e7b1d5-20
0.602
JOR-UNI-61e7b1d5-5
0.600
JOR-UNI-61e7b1d5-3
0.600
JOR-UNI-61e7b1d5-22
0.587
JOR-UNI-61e7b1d5-31
0.583
JOR-UNI-2fc98d0b-11
0.573
JOR-UNI-2fc98d0b-10
0.560
JOR-UNI-2fc98d0b-13
0.543
JOR-UNI-2fc98d0b-6
0.543
JOR-UNI-2fc98d0b-9
0.536
JOR-UNI-2fc98d0b-15
0.532
JOR-UNI-2fc98d0b-16
0.516
JOR-UNI-61e7b1d5-29
0.480
JOR-UNI-2fc98d0b-12
0.479
JOR-UNI-61e7b1d5-27
0.462
JOR-UNI-61e7b1d5-17
0.453
JOR-UNI-61e7b1d5-25
0.453
JOR-UNI-2fc98d0b-8
0.451
JOR-UNI-61e7b1d5-11
0.450
JOR-UNI-2fc98d0b-5
0.443
JOR-UNI-2fc98d0b-2
0.435
JOR-UNI-2fc98d0b-4
0.429
ERI-UCB-ce40166b-23
0.427
JOR-UNI-61e7b1d5-19
0.415
JOR-UNI-61e7b1d5-15
0.415
JOR-UNI-2fc98d0b-1
0.414
JOR-UNI-2fc98d0b-3
0.414
ANN-UNI-26382800-5
0.409
JOR-UNI-2fc98d0b-14
0.406
EMI-TUK-a58865cc-5
0.400
JOR-UNI-61e7b1d5-21
0.400
JOR-UNI-61e7b1d5-2
0.395
ANN-UNI-26382800-4
0.395
DAR-DIA-23aa0b97-5
0.395
WAR-XCH-eb7b662f-1
0.395
JOR-UNI-61e7b1d5-13
0.393
EMI-TUK-a58865cc-7
0.391
JOR-UNI-61e7b1d5-4
0.389
EMI-TUK-a58865cc-6
0.387
JOR-UNI-61e7b1d5-6
0.385
EMI-TUK-a58865cc-4
0.383
JOR-UNI-61e7b1d5-23
0.382
JOR-UNI-61e7b1d5-8
0.375
WIL-UNI-5578df48-2
0.366
WIL-UNI-5578df48-3
0.363
KAY-MCD-59dc2eb3-1
0.354
CHR-SOS-363cfb78-1
0.352
EMI-TUK-a58865cc-3
0.351
ASH-UNK-40b46b30-3
0.351
DAR-DIA-23aa0b97-17
0.348
MAR-TRE-2fd8122f-57
0.337
DAR-DIA-23aa0b97-4
0.337
EMI-TUK-a58865cc-1
0.337
ASH-UNK-40b46b30-1
0.337
ANN-UNI-26382800-3
0.333
VLA-UCB-34f3ed0c-13
0.333
JOH-UNK-14e6adc5-2
0.333
GAB-REV-70cc3ca5-19
0.330
ASH-UNK-40b46b30-9
0.330
EMI-TUK-a58865cc-2
0.327
MAK-UNK-f0bfc2e0-1
0.327
WIL-UNI-5578df48-1
0.326
WAR-XCH-eb7b662f-2
0.323
WIL-UNI-5578df48-33
0.321
BAR-COM-21d20d65-7
0.320
MAC-MCD-76766525-1
0.320
JOH-IMS-62aeb97d-4
0.318
MAR-TRE-2fd8122f-30
0.317
MAR-TRE-67513f76-81
0.316
WIL-UNI-5578df48-4
0.316
MAR-TRE-2fd8122f-69
0.316
CHR-SOS-f7373dd1-5
0.315
WIL-UNI-5578df48-30
0.314
SAD-SAT-135344c3-9
0.314
MAK-UNK-30aad1f1-8
0.314
KEI-TRE-d5e2018a-25
0.313
SAD-SAT-f25ee457-3
0.312
MAK-UNK-748f8b7a-6
0.312
DUN-NEW-f8ce3686-17
0.311
ALE-HEI-f28a35b5-9
0.311
AAR-POS-d2a4d1df-13
0.311
FRA-FAC-9ed5a63a-1
0.311
JOR-UNI-61e7b1d5-1
0.310
CHR-SOS-b301fc01-2
0.310
CHR-SOS-59746812-5
0.309
MAK-UNK-ca11b4f7-1
0.309
CHR-SOS-f7373dd1-2
0.309
MAK-UNK-30aad1f1-6
0.308
TAM-UNI-c140e31a-14
0.308