Molecular Properties | |
SMILES: | Cc1ccncc1N(C[C@]1(C)C[C@@]1(C)N)C(=O)Cc1cccc(Cl)c1 |
MW: | 357.16 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 59.22 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BAR-COM-ebf5acce-1
0.730
BAR-COM-ebf5acce-13
0.667
PET-UNK-bbe8d7ff-1
0.653
BAR-COM-ebf5acce-11
0.651
PET-UNK-bbe8d7ff-2
0.632
JOH-UNI-a38a7bdd-4
0.623
EDG-MED-0da5ad92-1
0.616
JAN-GHE-83b26c96-15
0.616
BAR-COM-ebf5acce-15
0.613
BAR-COM-ebf5acce-6
0.605
JOH-UNI-a38a7bdd-9
0.605
BAR-COM-ebf5acce-3
0.600
BAR-COM-ebf5acce-10
0.590
DAR-DIA-076fb6ea-16
0.582
BAR-COM-ebf5acce-7
0.581
JOH-UNI-a38a7bdd-8
0.576
BAR-COM-ebf5acce-12
0.563
BAR-COM-ebf5acce-14
0.558
JOH-UNI-a38a7bdd-3
0.543
DAR-DIA-56cf811e-2
0.543
DAR-DIA-076fb6ea-2
0.543
JAN-GHE-d851b096-1
0.542
VLA-UCB-05e51b3f-3
0.539
DAR-DIA-076fb6ea-6
0.536
DAR-DIA-076fb6ea-7
0.518
BAR-COM-ebf5acce-4
0.517
DAR-DIA-076fb6ea-4
0.511
BAR-COM-ebf5acce-2
0.506
JOH-UNI-a38a7bdd-7
0.506
DAR-DIA-56cf811e-6
0.500
DAR-DIA-56cf811e-4
0.500
DAR-DIA-076fb6ea-13
0.494
BAR-COM-ebf5acce-5
0.484
BAR-COM-ebf5acce-8
0.484
DAR-DIA-076fb6ea-14
0.474
DAR-DIA-076fb6ea-10
0.469
TRY-UNI-714a760b-6
0.450
JAN-GHE-83b26c96-16
0.434
EDG-MED-0da5ad92-6
0.432
MIC-UNK-67d4a29a-3
0.411
PET-UNK-e8c7a26f-2
0.395
PET-UNK-12d8d43f-2
0.394
MIC-UNK-67d4a29a-1
0.389
MAT-POS-bb423b95-7
0.389
JOH-UNI-abfda500-5
0.388
ANN-UNI-98d2bf15-3
0.388
NAU-LAT-4ce8bf23-2
0.385
SAM-UNK-2684b532-14
0.382
EDG-MED-0da5ad92-15
0.381
PET-UNK-8df914d1-3
0.381
PET-UNK-f92d7c0c-3
0.381
VLA-UCB-05e51b3f-17
0.380
SAM-UNK-2684b532-11
0.379
MAT-POS-bb423b95-5
0.379
ALP-POS-f13221e1-4
0.379
JIN-POS-6dc588a4-3
0.379
ALP-POS-75715966-4
0.379
EDG-MED-0da5ad92-18
0.376
MIC-UNK-67d4a29a-2
0.376
EDJ-MED-49816e9b-2
0.373
ALP-POS-95b75b4d-8
0.373
SAM-UNK-2684b532-13
0.373
EDG-MED-0da5ad92-16
0.373
PET-UNK-158bee2a-3
0.373
MIC-UNK-67d4a29a-4
0.372
JOH-UNI-abfda500-4
0.372
TRY-UNI-714a760b-3
0.372
EDG-MED-0da5ad92-12
0.369
ALP-POS-95b75b4d-6
0.369
JOH-UNI-ee5ed7c8-13
0.368
JOH-UNI-3fc3434e-13
0.368
MAK-UNK-6ca90168-23
0.368
PET-UNK-f92d7c0c-7
0.368
JIN-POS-6dc588a4-6
0.367
EDG-MED-0da5ad92-2
0.366
JAN-GHE-5a013bed-8
0.366
JOH-UNI-50ce7ec3-6
0.366
MAT-POS-0bc33984-2
0.365
PET-UNK-a692de38-1
0.365
JOH-UNI-a38a7bdd-2
0.365
RUB-POS-1325a9ea-19
0.364
SAM-UNK-2684b532-12
0.364
JIN-POS-6dc588a4-4
0.364
DAR-DIA-076fb6ea-15
0.361
SAD-SAT-7d5528d9-7
0.361
ABI-SAT-4d06482b-2
0.360
ALP-POS-95b75b4d-7
0.360
PET-UNK-5ecb6237-1
0.358
PET-UNK-8df914d1-4
0.357
SAD-SAT-7d5528d9-4
0.357
EDG-MED-0da5ad92-17
0.356
MAT-POS-bb423b95-1
0.356
MAT-POS-bb423b95-4
0.356
ALP-POS-95b75b4d-5
0.356
TRY-UNI-9f475305-7
0.354
JOH-UNI-50ce7ec3-2
0.354
JOH-UNI-3fc3434e-5
0.354
JOH-UNI-ee5ed7c8-5
0.354
EDJ-MED-49816e9b-3
0.353
JOH-UNI-3fc3434e-12
0.353