Molecular Properties | |
SMILES: | Cc1ccncc1N(CC1(O)CC1)C(=O)Cc1cccc(Cl)c1 |
MW: | 330.11 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 53.43 |
cLogP: | 3.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
BAR-COM-ebf5acce-11
0.776
BAR-COM-ebf5acce-9
0.730
BAR-COM-ebf5acce-13
0.684
PET-UNK-bbe8d7ff-2
0.671
PET-UNK-bbe8d7ff-1
0.671
JOH-UNI-a38a7bdd-4
0.640
BAR-COM-ebf5acce-3
0.636
JOH-UNI-a38a7bdd-9
0.620
JAN-GHE-83b26c96-15
0.611
EDG-MED-0da5ad92-1
0.611
BAR-COM-ebf5acce-15
0.608
BAR-COM-ebf5acce-10
0.605
BAR-COM-ebf5acce-6
0.600
JOH-UNI-a38a7bdd-8
0.590
DAR-DIA-076fb6ea-16
0.577
BAR-COM-ebf5acce-14
0.571
BAR-COM-ebf5acce-12
0.558
BAR-COM-ebf5acce-7
0.558
DAR-DIA-076fb6ea-2
0.557
DAR-DIA-56cf811e-2
0.557
JOH-UNI-a38a7bdd-3
0.557
DAR-DIA-076fb6ea-6
0.549
JAN-GHE-d851b096-1
0.537
VLA-UCB-05e51b3f-3
0.534
DAR-DIA-076fb6ea-7
0.530
DAR-DIA-076fb6ea-13
0.523
BAR-COM-ebf5acce-2
0.518
JOH-UNI-a38a7bdd-7
0.517
DAR-DIA-56cf811e-4
0.512
BAR-COM-ebf5acce-4
0.512
DAR-DIA-56cf811e-6
0.512
BAR-COM-ebf5acce-5
0.511
DAR-DIA-076fb6ea-4
0.506
BAR-COM-ebf5acce-8
0.494
DAR-DIA-076fb6ea-14
0.484
DAR-DIA-076fb6ea-10
0.479
JAN-GHE-83b26c96-16
0.444
TRY-UNI-714a760b-6
0.443
EDG-MED-0da5ad92-6
0.425
PET-UNK-e8c7a26f-2
0.405
MIC-UNK-67d4a29a-3
0.404
ALP-POS-75715966-4
0.402
PET-UNK-158bee2a-3
0.400
PET-UNK-8df914d1-3
0.390
ALP-POS-f13221e1-4
0.388
MIC-UNK-67d4a29a-1
0.382
MAT-POS-bb423b95-7
0.382
SAM-UNK-2684b532-14
0.375
JAN-GHE-5a013bed-8
0.375
JOH-UNI-50ce7ec3-6
0.374
VLA-UCB-05e51b3f-17
0.374
EDG-MED-0da5ad92-15
0.373
PET-UNK-f92d7c0c-3
0.373
JOH-UNI-a38a7bdd-2
0.372
PET-UNK-12d8d43f-2
0.372
JIN-POS-6dc588a4-3
0.372
MIC-UNK-67d4a29a-2
0.370
SAD-SAT-7d5528d9-17
0.367
ALP-POS-95b75b4d-8
0.366
EDG-MED-0da5ad92-16
0.366
EDJ-MED-49816e9b-2
0.366
SAM-UNK-2684b532-13
0.366
MIC-UNK-67d4a29a-4
0.366
JOH-UNI-abfda500-5
0.365
ANN-UNI-98d2bf15-3
0.365
JOH-UNI-abfda500-4
0.365
NAU-LAT-4ce8bf23-2
0.365
SAD-SAT-7d5528d9-4
0.365
JOH-UNI-ee5ed7c8-13
0.362
JOH-UNI-3fc3434e-13
0.362
EDG-MED-0da5ad92-12
0.361
ALP-POS-95b75b4d-6
0.361
PET-UNK-f92d7c0c-7
0.360
MAK-UNK-6ca90168-23
0.360
JIN-POS-6dc588a4-6
0.360
VLA-UCB-05e51b3f-15
0.359
PET-UNK-12d8d43f-1
0.359
PET-UNK-6c2be958-1
0.359
EDG-MED-0da5ad92-2
0.358
PET-UNK-a692de38-1
0.358
MAT-POS-0bc33984-2
0.357
RUB-POS-1325a9ea-19
0.356
MAT-POS-bb423b95-5
0.356
JOH-UNI-50ce7ec3-5
0.354
DAR-DIA-076fb6ea-15
0.354
EDG-MED-0da5ad92-18
0.353
ABI-SAT-4d06482b-2
0.353
PET-UNK-5ecb6237-1
0.351
ALP-UNI-44c99a80-1
0.350
PET-UNK-8df914d1-4
0.349
TRY-UNI-714a760b-3
0.349
MAT-POS-bb423b95-4
0.348
ALP-POS-95b75b4d-5
0.348
MAT-POS-bb423b95-1
0.348
JOH-UNI-50ce7ec3-2
0.347
TRY-UNI-9f475305-7
0.347
JOH-UNI-ee5ed7c8-5
0.347
JOH-UNI-3fc3434e-5
0.347
ALP-UNI-44c99a80-4
0.347
JOH-UNI-3fc3434e-12
0.347