Molecular Properties | |
SMILES: | CN(C(=O)Cc1cc(F)cc(F)c1)c1cncc2ccccc12 |
MW: | 312.11 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 33.2 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-bb423b95-7
0.648
RAL-THA-2d450e86-16
0.480
PET-UNK-12d8d43f-1
0.451
VLA-UCB-05e51b3f-17
0.451
JOH-UNI-ee5ed7c8-7
0.448
JOH-UNI-3fc3434e-7
0.448
JOH-UNI-50ce7ec3-2
0.435
VLA-UCB-05e51b3f-15
0.434
PET-UNK-6c2be958-1
0.434
ALF-EVA-a24cc7ce-2
0.432
JOH-UNI-a38a7bdd-2
0.430
JOH-UNI-a38a7bdd-1
0.430
PET-UNK-12d8d43f-2
0.430
PET-UNK-5ecb6237-1
0.424
MAT-POS-e69ad64a-3
0.419
MAK-UNK-3875bbc8-2
0.418
WIL-UCB-7ba4ac3a-2
0.418
PET-UNK-e8c7a26f-1
0.417
CYN-UNK-c04ce8cb-1
0.415
DAR-DIA-076fb6ea-1
0.414
VLA-UCB-05e51b3f-16
0.414
DAR-DIA-56cf811e-1
0.414
PET-UNK-a692de38-1
0.414
DAR-DIA-076fb6ea-5
0.411
MAK-UNK-3875bbc8-3
0.409
DAR-DIA-076fb6ea-15
0.409
MAK-UNK-3875bbc8-1
0.407
JOH-UNI-a38a7bdd-5
0.407
NAU-LAT-4ce8bf23-2
0.404
JOH-UNI-50ce7ec3-1
0.404
DAR-DIA-076fb6ea-11
0.404
DAR-DIA-56cf811e-5
0.402
DAR-DIA-076fb6ea-8
0.400
JOH-UNI-a38a7bdd-6
0.394
RAL-THA-2d450e86-14
0.393
DAR-DIA-076fb6ea-3
0.389
ALP-UNI-44c99a80-1
0.387
DAR-DIA-56cf811e-3
0.387
ALP-UNI-44c99a80-4
0.383
JOH-UNI-ee5ed7c8-13
0.371
JOH-UNI-3fc3434e-13
0.371
RAL-THA-2d450e86-35
0.370
MAK-UNK-c749d764-33
0.370
MIC-UNK-67d4a29a-2
0.364
MAK-UNK-c749d764-28
0.363
RAL-THA-2d450e86-10
0.361
DAR-DIA-076fb6ea-12
0.359
MAK-UNK-c749d764-16
0.359
MAK-UNK-c749d764-24
0.355
MIC-UNK-67d4a29a-3
0.352
MAK-UNK-c749d764-10
0.351
DAR-DIA-076fb6ea-9
0.350
MAK-UNK-c749d764-5
0.348
MAK-UNK-c749d764-25
0.347
MIC-UNK-67d4a29a-1
0.345
MAK-UNK-c749d764-20
0.344
RAL-THA-2d450e86-7
0.341
VLA-UNK-b9c208fe-2
0.341
MAK-UNK-b7886382-4
0.341
MAK-UNK-c749d764-19
0.340
MAK-UNK-c749d764-3
0.340
VLA-UCB-05e51b3f-4
0.337
VLA-UCB-50c39ae8-1
0.337
MAK-UNK-c749d764-29
0.333
VLA-UNK-b9c208fe-1
0.333
MAK-UNK-c749d764-18
0.333
MAK-UNK-c749d764-21
0.333
MIC-UNK-67d4a29a-4
0.330
RAL-THA-2d450e86-9
0.330
RAL-THA-2d450e86-15
0.330
DAR-DIA-6a49afbe-9
0.329
BEN-DND-d1eb1f41-17
0.327
VLA-UCB-05e51b3f-9
0.327
VLA-UCB-50c39ae8-6
0.327
ALP-POS-75715966-2
0.327
JOH-UNI-3fc3434e-5
0.326
JOH-UNI-ee5ed7c8-5
0.326
VLA-UNK-9a7dc93f-2
0.326
VLA-UNK-9a7dc93f-1
0.326
DAR-DIA-6a49afbe-1
0.326
JOH-UNI-21fd6073-3
0.324
NIR-THE-af15c15d-1
0.324
JOH-UNI-ee5ed7c8-10
0.323
PET-UNK-1901c25b-1
0.323
JOH-UNI-3fc3434e-10
0.323
PET-UNK-8c422e11-1
0.323
MAK-UNK-b7886382-3
0.322
RAL-THA-2d450e86-26
0.322
MAT-POS-fce787c2-2
0.321
ALP-POS-7c6e02c7-1
0.320
RAL-THA-065e0743-1
0.319
JOH-UNI-ee5ed7c8-9
0.319
JOH-UNI-3fc3434e-9
0.319
VLA-UNK-5c5a631c-3
0.317
NIR-THE-2069301b-1
0.317
PET-UNK-8c422e11-2
0.316
PET-UNK-f860268d-1
0.315
PET-UNK-f860268d-4
0.315
RAL-THA-2d450e86-6
0.315
RAL-THA-2d450e86-31
0.315