Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cnc(C(F)F)c2ccccc12 |
MW: | 346.07 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JIN-POS-6dc588a4-24
0.662
RUB-POS-1325a9ea-17
0.657
JIN-POS-6dc588a4-23
0.608
ADA-UCB-6c2cb422-1
0.575
JOH-UNI-6fede743-2
0.545
EDJ-MED-50fe53e8-2
0.519
JIN-POS-6dc588a4-13
0.519
MAT-POS-f7918075-6
0.519
MAT-POS-bb423b95-8
0.513
MAT-POS-bb423b95-9
0.506
MAT-POS-bb423b95-1
0.506
JIN-POS-6dc588a4-11
0.506
JOH-UNI-50ce7ec3-4
0.500
RUB-POS-1325a9ea-4
0.500
SAM-UNK-2684b532-11
0.500
RUB-POS-1325a9ea-5
0.494
MAT-POS-f7918075-5
0.494
MAT-POS-bb423b95-6
0.494
JOH-UNI-6fede743-3
0.494
JIN-POS-6dc588a4-19
0.494
PET-UNK-8df914d1-1
0.488
EDJ-MED-00c1612e-1
0.488
JOH-UNI-6fede743-5
0.488
MAT-POS-f7918075-3
0.487
MIC-UNK-08cd9c58-1
0.487
MAT-POS-4211dce8-1
0.487
PET-UNK-8df914d1-3
0.486
JIN-POS-6dc588a4-18
0.481
MIC-UNK-d935700b-1
0.481
PET-UNK-f4e47ebd-2
0.476
PET-UNK-f4e47ebd-1
0.476
RUB-POS-1325a9ea-3
0.475
RUB-POS-1325a9ea-2
0.475
MIC-UNK-50cce87d-3
0.475
RUB-POS-1325a9ea-18
0.475
JIN-POS-6dc588a4-21
0.475
MIC-UNK-50cce87d-1
0.475
TRY-UNI-714a760b-3
0.474
EDG-MED-0da5ad92-17
0.474
JOH-UNI-50ce7ec3-3
0.471
JOH-UNI-3fc3434e-3
0.470
JOH-UNI-ee5ed7c8-3
0.470
RUB-POS-1325a9ea-15
0.469
MIC-UNK-50cce87d-2
0.468
VLA-UNK-4cf5aa07-2
0.468
JAN-GHE-5a013bed-10
0.466
PET-UNK-6314f867-2
0.464
RUB-POS-1325a9ea-13
0.463
JIN-POS-6dc588a4-22
0.463
JOH-UNI-6fede743-4
0.463
JIN-POS-6dc588a4-5
0.462
ABI-SAT-4d06482b-2
0.461
EDG-MED-0da5ad92-16
0.459
SAM-UNK-2684b532-13
0.459
ALP-POS-95b75b4d-8
0.459
EDG-MED-0da5ad92-21
0.459
JOH-UNI-3fc3434e-1
0.459
JOH-UNI-ee5ed7c8-1
0.459
MAT-POS-bb423b95-2
0.457
JIN-POS-6dc588a4-12
0.457
JIN-POS-6dc588a4-14
0.457
VLA-UCB-00f2c2b3-7
0.456
ANN-UNI-98d2bf15-3
0.455
AGN-NEW-c7b24fe3-5
0.455
JOH-UNI-abfda500-5
0.455
ALP-POS-95b75b4d-6
0.453
EDG-MED-0da5ad92-14
0.453
JOH-SUS-a69c159d-3
0.451
JIN-POS-6dc588a4-7
0.450
TRY-UNI-714a760b-6
0.447
RUB-POS-1325a9ea-9
0.446
MIC-UNK-50cce87d-4
0.446
JOH-UNI-3fc3434e-8
0.446
JOH-UNI-ee5ed7c8-8
0.446
MAT-POS-e1b5ac6b-1
0.444
ROB-UNI-daaf9793-1
0.444
RUB-POS-1325a9ea-12
0.444
EDJ-MED-a364e151-3
0.444
SAM-UNK-2684b532-12
0.443
MAT-POS-bb423b95-5
0.443
JIN-POS-6dc588a4-4
0.443
JOH-UNI-ee5ed7c8-11
0.442
JOH-UNI-3fc3434e-11
0.442
PET-UNK-6314f867-3
0.440
RUB-POS-1325a9ea-11
0.439
JIN-POS-6dc588a4-8
0.438
VLA-UNK-4cf5aa07-1
0.436
AGN-NEW-c7b24fe3-4
0.436
JOH-UNI-abfda500-4
0.436
RUB-POS-1325a9ea-8
0.434
EDG-MED-0da5ad92-2
0.432
JAN-GHE-5a013bed-8
0.432
JIN-POS-6dc588a4-9
0.432
ALP-POS-95b75b4d-5
0.432
MAT-POS-bb423b95-4
0.432
MAK-UNK-6ca90168-23
0.430
AGN-NEW-c7b24fe3-1
0.430
MIC-UNK-16ccb665-3
0.430
RUB-POS-1325a9ea-14
0.429
ALP-POS-0c2c77e1-1
0.427