Molecular Properties | |
SMILES: | Cc1ccncc1N(C[C@H](N)C(C)(C)O)C(=O)Cc1cccc(Cl)c1 |
MW: | 361.16 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 79.45 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-POS-d2a4d1df-1
BAR-COM-ebf5acce-15
0.720
BAR-COM-ebf5acce-3
0.707
JOH-UNI-a38a7bdd-4
0.645
PET-UNK-bbe8d7ff-2
0.632
PET-UNK-bbe8d7ff-1
0.632
BAR-COM-ebf5acce-10
0.630
BAR-COM-ebf5acce-9
0.605
JOH-UNI-a38a7bdd-9
0.605
BAR-COM-ebf5acce-1
0.600
BAR-COM-ebf5acce-7
0.600
EDG-MED-0da5ad92-1
0.595
JAN-GHE-83b26c96-15
0.595
DAR-DIA-076fb6ea-16
0.582
JOH-UNI-a38a7bdd-8
0.576
BAR-COM-ebf5acce-12
0.563
DAR-DIA-076fb6ea-2
0.562
JOH-UNI-a38a7bdd-3
0.562
BAR-COM-ebf5acce-14
0.558
DAR-DIA-076fb6ea-6
0.554
BAR-COM-ebf5acce-13
0.552
DAR-DIA-56cf811e-2
0.543
BAR-COM-ebf5acce-11
0.539
JAN-GHE-d851b096-1
0.524
DAR-DIA-076fb6ea-7
0.518
BAR-COM-ebf5acce-4
0.517
DAR-DIA-56cf811e-6
0.517
BAR-COM-ebf5acce-2
0.506
JOH-UNI-a38a7bdd-7
0.506
DAR-DIA-56cf811e-4
0.500
DAR-DIA-076fb6ea-4
0.494
DAR-DIA-076fb6ea-13
0.494
BAR-COM-ebf5acce-5
0.484
BAR-COM-ebf5acce-8
0.484
VLA-UCB-05e51b3f-3
0.473
DAR-DIA-076fb6ea-10
0.469
DAR-DIA-076fb6ea-14
0.459
JAN-GHE-83b26c96-16
0.434
TRY-UNI-714a760b-6
0.432
EDG-MED-0da5ad92-6
0.415
MIC-UNK-67d4a29a-3
0.396
PET-UNK-e8c7a26f-2
0.395
ALP-POS-75715966-4
0.394
JOH-UNI-a38a7bdd-2
0.394
JOH-UNI-50ce7ec3-6
0.380
RUB-POS-1325a9ea-19
0.379
MIC-UNK-67d4a29a-1
0.374
MAT-POS-bb423b95-7
0.374
EDG-MED-0da5ad92-16
0.373
JOH-UNI-abfda500-5
0.372
ANN-UNI-98d2bf15-3
0.372
NAU-LAT-4ce8bf23-2
0.371
JOH-UNI-3fc3434e-13
0.368
JOH-UNI-ee5ed7c8-13
0.368
JIN-POS-6dc588a4-6
0.367
JAN-GHE-5a013bed-8
0.366
PET-UNK-12d8d43f-1
0.366
VLA-UCB-05e51b3f-15
0.366
PET-UNK-6c2be958-1
0.366
VLA-UCB-05e51b3f-17
0.366
PET-UNK-f92d7c0c-3
0.365
PET-UNK-8df914d1-3
0.365
PET-UNK-12d8d43f-2
0.365
SAM-UNK-2684b532-11
0.364
MAT-POS-bb423b95-5
0.364
ALP-POS-f13221e1-4
0.364
MIC-UNK-67d4a29a-2
0.362
DAR-DIA-076fb6ea-15
0.361
JOH-UNI-50ce7ec3-5
0.361
EDG-MED-0da5ad92-18
0.360
ALP-POS-95b75b4d-7
0.360
MIC-UNK-67d4a29a-4
0.358
ALP-POS-95b75b4d-8
0.357
SAM-UNK-2684b532-13
0.357
EDJ-MED-49816e9b-2
0.357
PET-UNK-158bee2a-3
0.357
EDG-MED-0da5ad92-21
0.357
EDG-MED-0da5ad92-17
0.356
TRY-UNI-714a760b-3
0.356
JOH-UNI-abfda500-4
0.356
JOH-UNI-ee5ed7c8-5
0.354
JOH-UNI-3fc3434e-5
0.354
ALP-POS-95b75b4d-6
0.353
EDJ-MED-49816e9b-3
0.353
EDG-MED-0da5ad92-12
0.353
MAK-UNK-6ca90168-23
0.352
SAM-UNK-2684b532-14
0.352
PET-UNK-a692de38-1
0.351
JOH-UNI-a38a7bdd-1
0.351
DAR-DIA-076fb6ea-5
0.350
EDG-MED-0da5ad92-2
0.349
EDG-MED-0da5ad92-15
0.349
JIN-POS-6dc588a4-3
0.348
SAM-UNK-2684b532-12
0.348
JIN-POS-6dc588a4-4
0.348
RUB-POS-1325a9ea-5
0.348
MAT-POS-f7918075-5
0.348
MAT-POS-90fd5f68-21
0.347
PET-UNK-5ecb6237-1
0.344
ALP-UNI-44c99a80-1
0.343
PET-UNK-8df914d1-4
0.341