Molecular Properties | |
SMILES: | N#Cc1cccc(N(CCC2CCCCC2)C(=O)Nc2cccnc2)c1 |
MW: | 348.45 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.02 |
cLogP: | 4.96218 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
JOR-UNI-61e7b1d5-9
0.887
JOR-UNI-61e7b1d5-20
0.759
JOR-UNI-2fc98d0b-12
0.713
JOR-UNI-61e7b1d5-30
0.690
JOR-UNI-61e7b1d5-7
0.675
JOR-UNI-61e7b1d5-24
0.655
JOR-UNI-61e7b1d5-28
0.632
JOR-UNI-61e7b1d5-26
0.625
JOR-UNI-61e7b1d5-16
0.618
JOR-UNI-2fc98d0b-8
0.605
JOR-UNI-61e7b1d5-5
0.596
JOR-UNI-61e7b1d5-10
0.589
JOR-UNI-61e7b1d5-22
0.582
JOR-UNI-61e7b1d5-19
0.574
JOR-UNI-61e7b1d5-12
0.567
JOR-UNI-61e7b1d5-3
0.560
JOR-UNI-61e7b1d5-14
0.560
JOR-UNI-61e7b1d5-21
0.495
JOR-UNI-2fc98d0b-17
0.468
MAT-POS-136e7878-1
0.458
JOR-UNI-2fc98d0b-2
0.444
JOR-UNI-2fc98d0b-13
0.443
ERI-UCB-ce40166b-23
0.436
ANN-UNI-26382800-5
0.435
JOR-UNI-2fc98d0b-15
0.434
FRA-FAC-9ed5a63a-1
0.432
ALE-HEI-f28a35b5-9
0.432
AAR-POS-d2a4d1df-13
0.432
JOR-UNI-2fc98d0b-10
0.429
VLA-UCB-05e51b3f-14
0.426
EDJ-MED-c314995a-1
0.426
JOR-UNI-2fc98d0b-11
0.423
JOR-UNI-2fc98d0b-16
0.417
JOR-UNI-61e7b1d5-31
0.415
JOR-UNI-2fc98d0b-6
0.414
EMI-TUK-a58865cc-5
0.409
JOR-UNI-2fc98d0b-3
0.408
WAR-XCH-eb7b662f-1
0.405
JOR-UNI-61e7b1d5-2
0.405
ANN-UNI-26382800-4
0.405
DAR-DIA-23aa0b97-5
0.405
JOR-UNI-2fc98d0b-9
0.400
JOR-UNI-2fc98d0b-14
0.400
EMI-TUK-a58865cc-7
0.400
EMI-TUK-a58865cc-6
0.396
RAY-UNI-5365d7e5-1
0.394
JOR-UNI-61e7b1d5-25
0.394
JOR-UNI-2fc98d0b-4
0.394
MIC-UNK-cdc2493e-1
0.392
EMI-TUK-a58865cc-4
0.391
MAT-UCB-93f6aed8-2
0.387
JOR-UNI-61e7b1d5-8
0.382
JOR-UNI-2fc98d0b-5
0.380
JOR-UNI-2fc98d0b-1
0.380
JOR-UNI-61e7b1d5-29
0.380
JOR-UNI-61e7b1d5-6
0.380
JOR-UNI-61e7b1d5-23
0.376
JOR-UNI-61e7b1d5-27
0.376
WIL-UNI-5578df48-2
0.375
WIL-UNI-5578df48-3
0.371
JOR-UNI-61e7b1d5-17
0.369
ALE-HEI-f28a35b5-8
0.369
MAT-UCB-70f7c0f7-5
0.369
JOR-UNI-61e7b1d5-13
0.361
CHR-SOS-363cfb78-1
0.360
MED-UNK-e6e8ef8a-7
0.360
JOR-UNI-61e7b1d5-11
0.359
ASH-UNK-40b46b30-3
0.359
EMI-TUK-a58865cc-3
0.359
JOR-UNI-61e7b1d5-4
0.358
JOR-UNI-61e7b1d5-15
0.358
DAR-DIA-23aa0b97-17
0.356
MAT-POS-136e7878-2
0.355
GAB-REV-70cc3ca5-19
0.351
WAR-XCH-bdd24732-38
0.350
JOH-IMS-62aeb97d-1
0.349
WAR-XCH-bdd24732-9
0.346
MED-UNK-e6e8ef8a-1
0.345
DAR-DIA-23aa0b97-4
0.344
EMI-TUK-a58865cc-1
0.344
MAT-POS-53907a1c-2
0.342
JOH-UNK-14e6adc5-2
0.341
ANN-UNI-26382800-3
0.341
WIL-UNI-5578df48-33
0.340
DAR-DIA-03336633-4
0.339
WIL-UNI-5578df48-4
0.337
ASH-UNK-40b46b30-9
0.337
MAR-TRE-b77b7921-74
0.337
MAT-POS-173a45da-1
0.336
ASH-UNK-40b46b30-13
0.333
WIL-UNI-5578df48-1
0.333
MAK-UNK-30aad1f1-8
0.333
EMI-TUK-a58865cc-2
0.333
WAR-XCH-eb7b662f-2
0.330
MAR-TRE-2fd8122f-57
0.330
PET-SGC-1fc12be1-1
0.330
MED-UNK-e6e8ef8a-5
0.330
MAR-UCB-ad2ff052-3
0.328
DAR-DIA-1d7f034a-1
0.328
JAG-UCB-1d922829-5
0.327