Molecular Properties | |
SMILES: | Cc1ccncc1N(CNc1ncco1)C(=O)Cc1cccc(Cl)c1 |
MW: | 356.1 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 71.26 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
het-C-het not in ring
acyclic N-C-N
AAR-POS-d2a4d1df-1
BAR-COM-ebf5acce-12
0.690
BAR-COM-ebf5acce-6
0.600
JOH-UNI-a38a7bdd-4
0.598
EDG-MED-0da5ad92-1
0.590
JAN-GHE-83b26c96-15
0.590
BAR-COM-ebf5acce-15
0.588
PET-UNK-bbe8d7ff-2
0.585
PET-UNK-bbe8d7ff-1
0.585
BAR-COM-ebf5acce-9
0.581
BAR-COM-ebf5acce-3
0.576
BAR-COM-ebf5acce-10
0.568
BAR-COM-ebf5acce-1
0.558
BAR-COM-ebf5acce-11
0.554
JOH-UNI-a38a7bdd-9
0.545
DAR-DIA-076fb6ea-16
0.541
BAR-COM-ebf5acce-13
0.533
JOH-UNI-a38a7bdd-8
0.522
BAR-COM-ebf5acce-14
0.522
JOH-UNI-a38a7bdd-3
0.506
DAR-DIA-076fb6ea-2
0.506
DAR-DIA-56cf811e-2
0.506
JAN-GHE-d851b096-1
0.506
BAR-COM-ebf5acce-2
0.505
DAR-DIA-076fb6ea-7
0.500
BAR-COM-ebf5acce-8
0.500
DAR-DIA-076fb6ea-6
0.500
BAR-COM-ebf5acce-4
0.484
DAR-DIA-56cf811e-4
0.484
DAR-DIA-076fb6ea-4
0.479
JOH-UNI-a38a7bdd-7
0.474
DAR-DIA-56cf811e-6
0.468
DAR-DIA-076fb6ea-13
0.463
VLA-UCB-05e51b3f-3
0.459
BAR-COM-ebf5acce-5
0.454
TRY-UNI-714a760b-6
0.435
DAR-DIA-076fb6ea-10
0.427
DAR-DIA-076fb6ea-14
0.419
EDG-MED-0da5ad92-6
0.419
JAN-GHE-83b26c96-16
0.404
MIC-UNK-67d4a29a-3
0.400
EDG-MED-0da5ad92-18
0.382
EDJ-MED-49816e9b-2
0.379
EDG-MED-0da5ad92-13
0.379
MIC-UNK-67d4a29a-1
0.379
MAT-POS-bb423b95-7
0.379
ALP-POS-f13221e1-4
0.370
PET-UNK-e8c7a26f-2
0.370
MIC-UNK-67d4a29a-2
0.367
ALP-POS-95b75b4d-7
0.366
PET-UNK-158bee2a-3
0.364
MIC-UNK-67d4a29a-4
0.364
JOH-UNI-ee5ed7c8-13
0.360
JOH-UNI-3fc3434e-13
0.360
JOH-UNI-50ce7ec3-6
0.357
PET-UNK-a692de38-1
0.356
PET-UNK-12d8d43f-2
0.356
ALP-POS-75715966-4
0.356
EDG-MED-0da5ad92-2
0.356
JAN-GHE-5a013bed-8
0.356
PET-UNK-8df914d1-3
0.356
RUB-POS-1325a9ea-19
0.355
SAD-SAT-7d5528d9-4
0.350
NAU-LAT-4ce8bf23-2
0.350
EDG-MED-0da5ad92-16
0.348
ALP-POS-95b75b4d-8
0.348
SAM-UNK-2684b532-13
0.348
TRY-UNI-714a760b-3
0.348
JOH-UNI-abfda500-5
0.348
ANN-UNI-98d2bf15-3
0.348
JAN-GHE-83b26c96-17
0.348
EDG-MED-0da5ad92-17
0.348
TRY-UNI-9f475305-7
0.347
JOH-UNI-ee5ed7c8-5
0.346
JOH-UNI-3fc3434e-5
0.346
JOH-UNI-ee5ed7c8-12
0.346
ALP-UNI-44c99a80-4
0.346
JOH-UNI-3fc3434e-12
0.346
EDG-MED-0da5ad92-12
0.344
ALP-POS-95b75b4d-6
0.344
MAK-UNK-6ca90168-23
0.344
JIN-POS-6dc588a4-6
0.344
VLA-UCB-05e51b3f-17
0.343
JOH-UNI-a38a7bdd-2
0.343
PET-UNK-f92d7c0c-3
0.341
EDG-MED-0da5ad92-15
0.341
JIN-POS-6dc588a4-3
0.340
MAT-POS-bb423b95-5
0.340
EDJ-MED-6e43a462-6
0.340
EDJ-MED-6e43a462-5
0.340
DAR-DIA-076fb6ea-15
0.340
JOH-UNI-ee5ed7c8-9
0.340
JOH-UNI-3fc3434e-9
0.340
JOH-UNI-50ce7ec3-5
0.340
EDG-MED-0da5ad92-3
0.337
ABI-SAT-4d06482b-2
0.337
DAR-DIA-2964957d-8
0.337
PET-UNK-5ecb6237-1
0.337
EDG-MED-0da5ad92-10
0.333
JAN-GHE-83b26c96-22
0.333
EDJ-MED-b24713dc-4
0.333