Molecular Properties | |
SMILES: | Cc1ccncc1N(C(=O)Cc1cccc(Cl)c1)c1cccc(N)n1 |
MW: | 352.11 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.11 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
aniline
AAR-POS-d2a4d1df-1
JAN-GHE-83b26c96-15
0.579
EDG-MED-0da5ad92-1
0.579
BAR-COM-ebf5acce-8
0.575
BAR-COM-ebf5acce-5
0.557
DAR-DIA-076fb6ea-16
0.549
PET-UNK-bbe8d7ff-1
0.537
PET-UNK-bbe8d7ff-2
0.537
DAR-DIA-56cf811e-2
0.530
DAR-DIA-076fb6ea-2
0.530
JOH-UNI-a38a7bdd-3
0.530
JOH-UNI-a38a7bdd-4
0.530
BAR-COM-ebf5acce-15
0.523
BAR-COM-ebf5acce-10
0.523
BAR-COM-ebf5acce-6
0.517
BAR-COM-ebf5acce-9
0.517
JAN-GHE-d851b096-1
0.512
BAR-COM-ebf5acce-1
0.512
BAR-COM-ebf5acce-3
0.512
DAR-DIA-076fb6ea-7
0.506
DAR-DIA-076fb6ea-6
0.506
DAR-DIA-56cf811e-6
0.506
JOH-UNI-a38a7bdd-9
0.500
JOH-UNI-a38a7bdd-7
0.495
BAR-COM-ebf5acce-2
0.494
DAR-DIA-56cf811e-4
0.489
BAR-COM-ebf5acce-7
0.484
DAR-DIA-076fb6ea-4
0.484
DAR-DIA-076fb6ea-13
0.484
JOH-UNI-a38a7bdd-8
0.478
BAR-COM-ebf5acce-14
0.478
BAR-COM-ebf5acce-13
0.473
BAR-COM-ebf5acce-12
0.468
VLA-UCB-05e51b3f-3
0.463
BAR-COM-ebf5acce-11
0.463
DAR-DIA-076fb6ea-10
0.459
TRY-UNI-714a760b-6
0.439
DAR-DIA-076fb6ea-14
0.436
MIC-UNK-67d4a29a-3
0.418
PET-UNK-e8c7a26f-2
0.402
MIC-UNK-67d4a29a-1
0.396
MAT-POS-bb423b95-7
0.396
JAN-GHE-83b26c96-16
0.391
EDG-MED-0da5ad92-6
0.388
PET-UNK-12d8d43f-2
0.385
MIC-UNK-67d4a29a-2
0.383
TRY-UNI-714a760b-3
0.379
EDG-MED-0da5ad92-17
0.379
JOH-UNI-50ce7ec3-2
0.375
JOH-UNI-50ce7ec3-6
0.372
VLA-UCB-05e51b3f-17
0.372
PET-UNK-8df914d1-3
0.372
MAT-POS-bb423b95-5
0.371
ALP-POS-f13221e1-4
0.371
JIN-POS-6dc588a4-3
0.371
EDG-MED-0da5ad92-18
0.368
ALP-POS-95b75b4d-7
0.367
ALP-POS-95b75b4d-8
0.365
SAM-UNK-2684b532-13
0.365
MIC-UNK-67d4a29a-4
0.365
JOH-UNI-abfda500-5
0.364
ANN-UNI-98d2bf15-3
0.364
JOH-UNI-3fc3434e-13
0.361
JOH-UNI-ee5ed7c8-13
0.361
ALP-POS-95b75b4d-6
0.360
MAK-UNK-6ca90168-23
0.360
JIN-POS-6dc588a4-6
0.359
VLA-UCB-05e51b3f-15
0.358
PET-UNK-6c2be958-1
0.358
PET-UNK-12d8d43f-1
0.358
MAT-POS-29385cc1-4
0.358
PET-UNK-a692de38-1
0.357
EDG-MED-0da5ad92-2
0.357
EDG-MED-0da5ad92-15
0.356
SAM-UNK-2684b532-11
0.356
RUB-POS-1325a9ea-19
0.356
MIC-UNK-50cce87d-3
0.355
RUB-POS-1325a9ea-3
0.355
DAR-DIA-076fb6ea-15
0.354
PET-UNK-5ecb6237-1
0.351
NAU-LAT-4ce8bf23-2
0.350
ALP-UNI-44c99a80-1
0.350
EDJ-MED-49816e9b-2
0.349
EDG-MED-0da5ad92-16
0.349
JOH-UNI-abfda500-4
0.348
MAT-POS-bb423b95-1
0.348
JOH-UNI-3fc3434e-5
0.347
JOH-UNI-ee5ed7c8-5
0.347
SAM-UNK-2684b532-14
0.344
ALP-POS-0c2c77e1-1
0.344
MAT-POS-bb423b95-3
0.344
JOH-UNI-a38a7bdd-2
0.343
ALP-POS-75715966-4
0.343
JOH-UNI-a38a7bdd-1
0.343
DAR-DIA-56cf811e-1
0.343
VLA-UCB-05e51b3f-16
0.343
DAR-DIA-076fb6ea-1
0.343
JAN-GHE-5a013bed-8
0.341
PET-UNK-f92d7c0c-3
0.341
SAM-UNK-2684b532-12
0.341
JIN-POS-6dc588a4-4
0.341