Molecular Properties | |
SMILES: | Cc1ccncc1N(CNc1ccon1)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-7
0.690
PET-UNK-bbe8d7ff-2
0.605
JOH-UNI-a38a7bdd-4
0.598
PET-UNK-bbe8d7ff-1
0.585
BAR-COM-ebf5acce-15
0.570
JAN-GHE-83b26c96-15
0.570
EDG-MED-0da5ad92-1
0.570
BAR-COM-ebf5acce-6
0.563
BAR-COM-ebf5acce-9
0.563
BAR-COM-ebf5acce-1
0.558
BAR-COM-ebf5acce-3
0.558
BAR-COM-ebf5acce-10
0.551
JOH-UNI-a38a7bdd-9
0.545
DAR-DIA-076fb6ea-16
0.541
BAR-COM-ebf5acce-14
0.538
BAR-COM-ebf5acce-13
0.533
JOH-UNI-a38a7bdd-8
0.522
BAR-COM-ebf5acce-11
0.521
DAR-DIA-076fb6ea-6
0.517
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-8
0.484
DAR-DIA-076fb6ea-7
0.484
DAR-DIA-076fb6ea-4
0.479
BAR-COM-ebf5acce-2
0.473
DAR-DIA-56cf811e-4
0.468
DAR-DIA-56cf811e-6
0.468
BAR-COM-ebf5acce-4
0.468
DAR-DIA-076fb6ea-13
0.463
VLA-UCB-05e51b3f-3
0.459
JOH-UNI-a38a7bdd-7
0.458
DAR-DIA-076fb6ea-10
0.455
BAR-COM-ebf5acce-5
0.454
DAR-DIA-076fb6ea-14
0.433
TRY-UNI-714a760b-6
0.419
JAN-GHE-83b26c96-16
0.404
EDG-MED-0da5ad92-6
0.402
MAK-UNK-6ca90168-23
0.389
MIC-UNK-67d4a29a-3
0.385
PET-UNK-8df914d1-3
0.371
PET-UNK-e8c7a26f-2
0.370
MIC-UNK-67d4a29a-1
0.365
MAT-POS-bb423b95-7
0.365
PET-UNK-5ecb6237-1
0.364
EDJ-MED-49816e9b-2
0.364
PET-UNK-158bee2a-3
0.364
TRY-UNI-9f475305-7
0.360
JOH-UNI-50ce7ec3-6
0.357
VLA-UCB-05e51b3f-17
0.357
PET-UNK-12d8d43f-2
0.356
ALP-POS-75715966-4
0.356
JAN-GHE-5a013bed-8
0.356
DAR-DIA-076fb6ea-5
0.356
PET-UNK-f92d7c0c-3
0.356
ALP-POS-f13221e1-4
0.355
RUB-POS-1325a9ea-19
0.355
MIC-UNK-67d4a29a-2
0.354
EDG-MED-0da5ad92-18
0.352
MIC-UNK-67d4a29a-4
0.350
ALP-POS-95b75b4d-8
0.348
EDG-MED-0da5ad92-16
0.348
SAM-UNK-2684b532-13
0.348
JOH-UNI-abfda500-5
0.348
ANN-UNI-98d2bf15-3
0.348
TRY-UNI-714a760b-3
0.348
JOH-UNI-3fc3434e-13
0.347
JOH-UNI-ee5ed7c8-13
0.347
JOH-UNI-3fc3434e-5
0.346
JOH-UNI-ee5ed7c8-5
0.346
ALP-UNI-44c99a80-4
0.346
ALP-POS-95b75b4d-6
0.344
EDG-MED-0da5ad92-12
0.344
PET-UNK-f92d7c0c-7
0.344
JIN-POS-6dc588a4-6
0.344
MAT-POS-29385cc1-4
0.343
PET-UNK-a692de38-1
0.343
JOH-UNI-a38a7bdd-2
0.343
EDG-MED-0da5ad92-2
0.341
EDG-MED-0da5ad92-15
0.341
MAT-POS-bb423b95-5
0.340
JIN-POS-6dc588a4-3
0.340
JIN-POS-6dc588a4-16
0.340
EDJ-MED-c8e7a002-16
0.340
DAR-DIA-076fb6ea-15
0.340
JOH-UNI-50ce7ec3-5
0.340
ABI-SAT-4d06482b-2
0.337
ALP-POS-95b75b4d-7
0.337
DAR-DIA-2964957d-8
0.337
EDJ-MED-976da9a6-2
0.337
NAU-LAT-4ce8bf23-2
0.337
JOH-UNI-abfda500-4
0.333
EDG-MED-0da5ad92-13
0.333
JOH-UNI-ee5ed7c8-12
0.333
MAT-POS-bb423b95-1
0.333
JOH-UNI-3fc3434e-12
0.333
PET-UNK-8df914d1-4
0.333
VLA-UCB-05e51b3f-15
0.330
PET-UNK-6c2be958-1
0.330