Molecular Properties | |
SMILES: | CN1CCN(C(=O)Cc2cncc3ccccc23)CC1(C)C |
MW: | 297.18 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 36.44 |
cLogP: | 2.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
TIM-INF-fd8b8e92-1
MIC-UNK-a28eba03-3
0.648
MIC-UNK-a28eba03-2
0.632
MIC-UNK-a28eba03-4
0.614
MIC-UNK-460e637d-1
0.506
MIC-UNK-460e637d-3
0.484
MIC-UNK-460e637d-2
0.473
JUL-TUD-06b2044f-52
0.461
TIM-INF-fd8b8e92-1
0.440
NAU-LAT-a5c7d7cb-5
0.432
DAR-DIA-23aa0b97-20
0.421
UNK-UNK-2ede4078-90
0.419
JOH-UNI-ea1df7a8-1
0.418
PET-UNK-8922bd3c-1
0.393
MAK-UNK-b7886382-3
0.391
DAR-DIA-6a49afbe-2
0.386
NAU-LAT-2fed8305-8
0.386
DAR-DIA-6a49afbe-9
0.386
DAR-DIA-6a49afbe-1
0.381
MAK-UNK-b7886382-4
0.379
DAR-DIA-6a49afbe-4
0.371
MAK-UNK-b7886382-5
0.368
ALP-POS-c3a96089-2
0.368
DAR-DIA-6a49afbe-8
0.368
DAR-DIA-6a49afbe-7
0.368
DAR-DIA-6a49afbe-3
0.366
DAR-DIA-6a49afbe-12
0.366
DAR-DIA-6a49afbe-11
0.365
DAR-DIA-23aa0b97-19
0.364
ALP-POS-c3a96089-1
0.362
ALP-POS-25b4df59-2
0.362
DAR-DIA-6a49afbe-10
0.357
ALP-POS-64a710fa-2
0.355
DAR-DIA-6a508060-1
0.354
VLA-UCB-05e51b3f-1
0.353
NAU-LAT-a5c7d7cb-1
0.353
NIR-THE-d08c3b48-1
0.353
BEN-DND-6de5dfa0-11
0.353
ALP-POS-6747fa38-1
0.353
DAR-DIA-6a49afbe-6
0.352
ERI-UCB-ce40166b-1
0.351
DAR-DIA-6a49afbe-5
0.350
DAR-DIA-53551c05-6
0.349
NIR-THE-590dedc7-1
0.347
MIC-UNK-d36ab305-6
0.347
NAU-LAT-a5c7d7cb-2
0.347
ERI-UCB-ce40166b-4
0.347
MIC-UNK-6ab519a7-1
0.347
MIC-UNK-5a93dd5f-10
0.347
ALP-POS-25b4df59-1
0.347
PET-UNK-1901c25b-1
0.344
ALP-POS-7c6e02c7-1
0.340
ERI-UCB-ce40166b-8
0.337
ERI-UCB-ce40166b-2
0.337
ERI-UCB-ce40166b-5
0.333
NAU-LAT-a5c7d7cb-4
0.333
MIC-UNK-d36ab305-3
0.333
MAT-POS-173a45da-1
0.333
ALP-POS-75715966-2
0.333
ERI-UCB-ce40166b-9
0.330
MAK-UNK-b7886382-1
0.330
PET-UNK-55f647aa-2
0.330
ALP-POS-64a710fa-1
0.330
ERI-UCB-ce40166b-3
0.330
MAR-UCB-f313ec4d-6
0.329
MAK-UNK-b7886382-2
0.327
PET-UNK-55f647aa-1
0.327
ALP-POS-b3306dea-1
0.327
ERI-UCB-ce40166b-6
0.324
ALP-POS-c3a96089-4
0.324
MAT-POS-6c284e65-2
0.324
ERI-UCB-ce40166b-12
0.324
ERI-UCB-ce40166b-10
0.321
MAT-POS-6c284e65-1
0.320
MAT-POS-6344a35d-1
0.317
ERI-UCB-ce40166b-7
0.317
MAT-POS-54c4bf04-3
0.315
JOH-UNI-6e27fddc-8
0.315
JOH-UNI-6e27fddc-9
0.315
JOO-IND-6372a4f3-5
0.310
MED-COV-4280ac29-31
0.310
AAR-POS-d2a4d1df-40
0.310
ALP-POS-7c6e02c7-3
0.308
ALP-POS-c3a96089-3
0.308
DAR-DIA-53551c05-10
0.308
MIC-UNK-5b1ead09-1
0.308
PET-UNK-14142a25-17
0.307
PET-UNK-14142a25-8
0.307
RAL-THA-2d450e86-3
0.306
ERI-UCB-ce40166b-11
0.306
NAU-LAT-a5c7d7cb-8
0.305
ALP-POS-7c6e02c7-2
0.300
JUL-TUD-06b2044f-53
0.297
RAL-THA-2d450e86-4
0.295
MIC-UNK-5a93dd5f-9
0.295
DAR-DIA-0cde14eb-46
0.295
JOO-IND-6372a4f3-4
0.294
RAL-THA-2d450e86-8
0.293
RAL-THA-2d450e86-32
0.292
MIC-UNK-b9827f26-2
0.292
DAR-DIA-0cde14eb-55
0.292