Molecular Properties | |
SMILES: | Cc1ccc(N(Cc2cc[nH]n2)C(=O)Cc2cncc3ccccc23)cc1 |
MW: | 356.16 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 61.88 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-25b4df59-2
0.704
ALP-POS-c3a96089-1
0.683
MAK-UNK-b7886382-4
0.512
PET-UNK-1901c25b-1
0.511
ALP-POS-75715966-2
0.511
MAK-UNK-b7886382-3
0.506
ALP-POS-c3a96089-2
0.505
PET-UNK-55f647aa-2
0.474
ALP-POS-c3a96089-4
0.461
MAT-POS-6c284e65-2
0.461
NAU-LAT-a5c7d7cb-4
0.449
MAK-UNK-b7886382-2
0.448
MAT-POS-6c284e65-1
0.446
PET-UNK-55f647aa-1
0.440
MAT-POS-173a45da-1
0.434
ALP-POS-64a710fa-2
0.432
ALP-POS-b3306dea-1
0.426
ALP-POS-7c6e02c7-3
0.415
ALP-POS-7c6e02c7-1
0.412
ALP-POS-64a710fa-1
0.402
ALP-POS-c3a96089-3
0.402
MAK-UNK-b7886382-5
0.400
MIC-UNK-d36ab305-6
0.394
MIC-UNK-d36ab305-3
0.379
ALP-POS-7c6e02c7-2
0.378
MIC-UNK-a28eba03-2
0.375
DAR-DIA-6a49afbe-4
0.375
DAR-DIA-6a49afbe-2
0.375
NAU-LAT-a5c7d7cb-5
0.374
DAR-DIA-6a49afbe-9
0.374
DAR-DIA-23aa0b97-20
0.372
DAR-DIA-6a49afbe-1
0.370
DAR-DIA-6a49afbe-5
0.367
MIC-UNK-a28eba03-4
0.367
MIC-UNK-a28eba03-3
0.366
JUL-TUD-06b2044f-53
0.363
DAR-DIA-6a49afbe-7
0.358
DAR-DIA-6a49afbe-8
0.358
DAR-DIA-6a49afbe-3
0.358
UNK-UNK-2ede4078-90
0.352
MAK-UNK-b7886382-1
0.349
MIC-UNK-a28eba03-1
0.347
DAR-DIA-6a49afbe-6
0.345
NAU-LAT-2fed8305-8
0.344
DAR-DIA-6a49afbe-12
0.343
PET-UNK-8922bd3c-1
0.337
ERI-UCB-ce40166b-3
0.336
VLA-UCB-34f3ed0c-5
0.336
MIC-UNK-460e637d-2
0.333
JUL-TUD-06b2044f-52
0.333
RAL-THA-2d450e86-3
0.330
ERI-UCB-ce40166b-4
0.327
NAU-LAT-a5c7d7cb-8
0.327
DAR-DIA-23aa0b97-19
0.327
JUL-TUD-06b2044f-69
0.324
DAR-DIA-6a49afbe-11
0.318
ERI-UCB-ce40166b-1
0.318
MIC-UNK-460e637d-1
0.318
ALF-EVA-a24cc7ce-7
0.312
ERI-UCB-ce40166b-7
0.312
DAR-DIA-6a49afbe-10
0.312
JOH-UNI-ea1df7a8-1
0.311
DAR-DIA-6a508060-1
0.308
ERI-UCB-ce40166b-2
0.306
MIC-UNK-460e637d-3
0.306
ERI-UCB-ce40166b-8
0.306
ERI-UCB-ce40166b-5
0.304
VLA-UCB-34f3ed0c-4
0.303
VLA-UCB-34f3ed0c-3
0.303
MAT-POS-bb423b95-7
0.303
ERI-UCB-ce40166b-11
0.302
ERI-UCB-ce40166b-9
0.301
MAT-POS-6344a35d-1
0.301
MIC-UNK-bcd487e9-7
0.300
JOH-UNI-6e27fddc-9
0.299
DAR-DIA-53551c05-6
0.298
UNK-UNK-2ede4078-104
0.297
ERI-UCB-ce40166b-6
0.296
ERI-UCB-ce40166b-12
0.295
ALP-UNI-44c99a80-1
0.294
ERI-UCB-ce40166b-10
0.293
RAL-THA-2d450e86-15
0.290
DAR-DIA-53551c05-10
0.290
LON-WEI-9739a092-8
0.289
VLA-UCB-05e51b3f-1
0.289
NIR-THE-d08c3b48-1
0.289
NAU-LAT-a5c7d7cb-1
0.289
BEN-DND-6de5dfa0-11
0.289
ALP-POS-6747fa38-1
0.289
JOH-UNI-6e27fddc-8
0.288
RYA-UNI-14580791-1
0.287
RAL-THA-2d450e86-39
0.286
JOH-UNI-a38a7bdd-2
0.286
MIC-UNK-bcd487e9-9
0.286
DAR-DIA-076fb6ea-3
0.286
PET-UNK-12d8d43f-2
0.286
RAL-THA-2d450e86-13
0.286
EDG-MED-4c68219f-15
0.285
MIC-UNK-cdc2493e-19
0.284
PET-UNK-e8c7a26f-1
0.284