Molecular Properties | |
SMILES: | Cc1ccc(N(Cc2c[nH]cn2)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-c3a96089-1
0.704
ALP-POS-25b4df59-1
0.704
ALP-POS-c3a96089-2
0.522
PET-UNK-1901c25b-1
0.511
MAK-UNK-b7886382-3
0.506
ALP-POS-75715966-2
0.495
MAK-UNK-b7886382-4
0.494
PET-UNK-55f647aa-2
0.490
PET-UNK-55f647aa-1
0.455
MAK-UNK-b7886382-2
0.448
MAT-POS-6c284e65-2
0.447
ALP-POS-c3a96089-4
0.447
MAT-POS-6c284e65-1
0.446
NAU-LAT-a5c7d7cb-4
0.434
MAT-POS-173a45da-1
0.434
ALP-POS-7c6e02c7-3
0.429
ALP-POS-7c6e02c7-1
0.426
ALP-POS-64a710fa-2
0.417
ALP-POS-b3306dea-1
0.412
MIC-UNK-d36ab305-6
0.408
ALP-POS-64a710fa-1
0.402
ALP-POS-c3a96089-3
0.402
MAK-UNK-b7886382-5
0.400
ALP-POS-7c6e02c7-2
0.391
MIC-UNK-a28eba03-2
0.391
MIC-UNK-d36ab305-3
0.379
DAR-DIA-23aa0b97-20
0.372
DAR-DIA-6a49afbe-5
0.367
MIC-UNK-a28eba03-4
0.367
MIC-UNK-a28eba03-3
0.366
DAR-DIA-6a49afbe-4
0.362
MIC-UNK-a28eba03-1
0.362
DAR-DIA-6a49afbe-2
0.361
NAU-LAT-a5c7d7cb-5
0.360
DAR-DIA-6a49afbe-9
0.359
DAR-DIA-6a49afbe-7
0.358
DAR-DIA-6a49afbe-3
0.358
DAR-DIA-6a49afbe-6
0.357
DAR-DIA-6a49afbe-1
0.355
UNK-UNK-2ede4078-90
0.352
PET-UNK-8922bd3c-1
0.351
JUL-TUD-06b2044f-53
0.351
MAK-UNK-b7886382-1
0.349
NAU-LAT-2fed8305-8
0.344
DAR-DIA-6a49afbe-8
0.344
MIC-UNK-460e637d-1
0.343
JUL-TUD-06b2044f-52
0.333
DAR-DIA-6a49afbe-12
0.330
DAR-DIA-23aa0b97-19
0.327
JUL-TUD-06b2044f-69
0.324
MIC-UNK-460e637d-2
0.321
MIC-UNK-460e637d-3
0.318
DAR-DIA-6a49afbe-11
0.318
ALP-UNI-44c99a80-1
0.318
RAL-THA-2d450e86-3
0.315
ERI-UCB-ce40166b-4
0.314
NAU-LAT-a5c7d7cb-8
0.314
DAR-DIA-6a49afbe-10
0.312
ERI-UCB-ce40166b-3
0.312
JOH-UNI-ea1df7a8-1
0.311
DAR-DIA-6a508060-1
0.308
ERI-UCB-ce40166b-1
0.306
MIC-UNK-bcd487e9-7
0.300
ALF-EVA-a24cc7ce-7
0.299
ALP-POS-a3de0cb1-15
0.298
DAR-DIA-53551c05-6
0.298
ALP-POS-8ed8d9ec-2
0.296
ERI-UCB-ce40166b-2
0.295
ERI-UCB-ce40166b-8
0.294
ERI-UCB-ce40166b-5
0.292
DAR-DIA-53551c05-10
0.290
MAT-POS-bb423b95-7
0.290
MAT-POS-6344a35d-1
0.289
ERI-UCB-ce40166b-9
0.289
ERI-UCB-ce40166b-7
0.289
JOH-UNI-6e27fddc-8
0.288
JOH-UNI-6e27fddc-9
0.288
EDG-MED-90036822-50
0.288
MIC-UNK-bcd487e9-9
0.286
ERI-UCB-ce40166b-6
0.284
PET-UNK-12d8d43f-1
0.284
VLA-UCB-05e51b3f-17
0.284
PET-UNK-e8c7a26f-1
0.284
RAL-THA-2d450e86-38
0.284
ERI-UCB-ce40166b-12
0.283
ERI-UCB-ce40166b-10
0.282
ALP-POS-bad7201a-4
0.280
ERI-UCB-ce40166b-11
0.280
MAK-UNK-919546f0-4
0.280
ALP-UNI-44c99a80-4
0.279
LON-WEI-9739a092-8
0.278
VLA-UCB-34f3ed0c-20
0.277
RAL-THA-2d450e86-15
0.277
MAT-POS-e69ad64a-3
0.276
EDG-MED-90036822-93
0.276
BEN-DND-6de5dfa0-11
0.276
VLA-UCB-05e51b3f-1
0.276
NIR-THE-d08c3b48-1
0.276
NAU-LAT-a5c7d7cb-1
0.276
ALP-POS-6747fa38-1
0.276