Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)N(CC(F)(F)F)c1cncc2ccccc12 |
MW: | 378.07 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 33.2 |
cLogP: | 5.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
high halogen content (>3)
NAU-LAT-4ce8bf23-2
0.675
JOH-UNI-a38a7bdd-1
0.650
ALP-UNI-44c99a80-1
0.643
MAT-POS-bb423b95-7
0.636
ALP-UNI-44c99a80-4
0.635
PET-UNK-12d8d43f-1
0.620
VLA-UCB-05e51b3f-15
0.620
PET-UNK-6c2be958-1
0.620
VLA-UCB-05e51b3f-17
0.620
JOH-UNI-50ce7ec3-2
0.617
PET-UNK-a692de38-1
0.610
PET-UNK-12d8d43f-2
0.610
PET-UNK-5ecb6237-1
0.605
DAR-DIA-56cf811e-5
0.605
DAR-DIA-076fb6ea-15
0.602
JOH-UNI-a38a7bdd-6
0.591
DAR-DIA-56cf811e-1
0.590
DAR-DIA-076fb6ea-1
0.590
VLA-UCB-05e51b3f-16
0.590
JOH-UNI-50ce7ec3-1
0.576
JOH-UNI-a38a7bdd-5
0.575
DAR-DIA-076fb6ea-8
0.570
DAR-DIA-076fb6ea-5
0.563
JOH-UNI-a38a7bdd-4
0.556
DAR-DIA-56cf811e-3
0.551
DAR-DIA-076fb6ea-3
0.549
DAR-DIA-076fb6ea-11
0.533
DAR-DIA-076fb6ea-9
0.495
DAR-DIA-076fb6ea-12
0.490
JOH-UNI-3fc3434e-13
0.489
JOH-UNI-ee5ed7c8-13
0.489
ADA-UCB-6c2cb422-1
0.470
DAR-DIA-6a49afbe-1
0.464
JOH-UNI-3fc3434e-10
0.462
JOH-UNI-ee5ed7c8-10
0.462
PET-UNK-e8c7a26f-1
0.438
MIC-UNK-67d4a29a-2
0.433
MIC-UNK-67d4a29a-1
0.432
ALF-EVA-a24cc7ce-7
0.430
MIC-UNK-67d4a29a-4
0.429
JOH-UNI-ee5ed7c8-11
0.424
JOH-UNI-3fc3434e-11
0.424
MIC-UNK-67d4a29a-3
0.422
JOH-UNI-3fc3434e-5
0.421
JOH-UNI-ee5ed7c8-5
0.421
ALP-POS-75715966-2
0.418
JOH-UNI-3fc3434e-9
0.415
JOH-UNI-ee5ed7c8-9
0.415
ALP-POS-76eab5ce-2
0.414
ALP-POS-b3306dea-1
0.410
MAT-POS-e69ad64a-3
0.409
JOH-UNI-a38a7bdd-8
0.406
JOH-UNI-3fc3434e-7
0.406
JOH-UNI-ee5ed7c8-7
0.406
RUB-POS-1325a9ea-18
0.404
MAT-POS-6c284e65-2
0.404
ALP-POS-c3a96089-4
0.404
BAR-COM-ebf5acce-3
0.402
MAT-POS-90fd5f68-23
0.402
MAT-POS-6c284e65-1
0.402
JOH-UNI-6fede743-2
0.400
JOH-UNI-a38a7bdd-3
0.400
JOH-UNI-50ce7ec3-4
0.398
MAT-POS-90fd5f68-24
0.396
BAR-COM-ebf5acce-6
0.394
JOH-UNI-a38a7bdd-9
0.394
MAT-POS-3cc264b0-1
0.393
EDJ-MED-50fe53e8-1
0.393
JOH-UNI-6fede743-4
0.393
NAU-LAT-a5c7d7cb-4
0.390
PET-UNK-bbe8d7ff-2
0.389
ALP-POS-f13221e1-3
0.389
PET-UNK-bbe8d7ff-1
0.389
ALP-POS-c3a96089-3
0.387
MAK-UNK-c749d764-3
0.387
MAK-UNK-c749d764-5
0.385
MAT-POS-90fd5f68-21
0.385
JOH-UNI-21fd6073-3
0.385
JIN-POS-6dc588a4-11
0.385
EDG-MED-0da5ad92-1
0.384
JAN-GHE-83b26c96-15
0.384
BAR-COM-ebf5acce-15
0.383
JOH-UNI-ee5ed7c8-8
0.380
JOH-UNI-3fc3434e-8
0.380
JAN-GHE-83b26c96-16
0.379
JOH-UNI-21fd6073-4
0.378
JOH-UNI-a38a7bdd-7
0.378
JOH-UNI-50ce7ec3-3
0.378
MAK-UNK-c749d764-19
0.378
MAK-UNK-c749d764-24
0.378
MAT-POS-90fd5f68-37
0.376
MAT-POS-173a45da-1
0.376
MAT-POS-90fd5f68-6
0.375
MAT-POS-90fd5f68-39
0.375
MAT-POS-f7918075-5
0.374
DAR-DIA-6a49afbe-4
0.373
PET-UNK-8df914d1-1
0.372
BAR-COM-ebf5acce-1
0.372
EDJ-MED-00c1612e-1
0.372
JOH-UNI-ee5ed7c8-3
0.372