Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1c(C(F)F)ncc2ccccc12 |
MW: | 346.07 |
Fraction sp3: | 0.11 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 5.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-6fede743-5
0.685
RUB-POS-1325a9ea-18
0.676
JOH-UNI-6fede743-4
0.662
JOH-UNI-3fc3434e-8
0.635
JOH-UNI-ee5ed7c8-8
0.635
JOH-UNI-3fc3434e-11
0.623
JOH-UNI-ee5ed7c8-11
0.623
JOH-UNI-6fede743-1
0.545
ADA-UCB-6c2cb422-1
0.526
MAT-POS-3cc264b0-1
0.513
EDJ-MED-50fe53e8-1
0.513
JIN-POS-6dc588a4-21
0.506
EDJ-MED-49816e9b-2
0.473
RUB-POS-1325a9ea-17
0.463
JOH-UNI-99d163e5-7
0.459
JOH-UNI-99d163e5-8
0.458
SAM-UNK-2684b532-11
0.456
EDG-MED-0da5ad92-18
0.455
ALP-POS-3b848b35-3
0.450
JOH-UNI-6b98e24c-3
0.446
JOH-UNI-3fc3434e-10
0.444
JOH-UNI-ee5ed7c8-10
0.444
VLA-UNK-4cf5aa07-2
0.443
MAT-POS-c0609ef7-1
0.442
NAU-LAT-a5c7d7cb-11
0.439
MIC-UNK-51049f1a-5
0.435
PET-UNK-158bee2a-3
0.434
EDG-MED-0da5ad92-13
0.434
JIN-POS-6dc588a4-24
0.434
EDJ-MED-c8e7a002-17
0.434
EDJ-MED-c8e7a002-11
0.432
NAU-LAT-a5c7d7cb-10
0.432
PET-UNK-158bee2a-1
0.430
VLA-UNK-4cf5aa07-1
0.430
ALP-POS-95b75b4d-6
0.429
MAT-POS-bb423b95-7
0.429
JIN-POS-6dc588a4-23
0.429
JOH-UNI-3fc3434e-9
0.427
JOH-UNI-ee5ed7c8-9
0.427
DAR-DIA-6a49afbe-1
0.427
JIN-POS-6dc588a4-7
0.427
MIC-UNK-66895286-1
0.427
JAN-GHE-5a013bed-8
0.427
JOH-UNI-50ce7ec3-4
0.425
MAT-POS-c20a539d-5
0.425
PET-UNK-6314f867-2
0.425
TRY-UNI-714a760b-6
0.423
EDJ-MED-50fe53e8-2
0.422
JIN-POS-6dc588a4-13
0.422
MAT-POS-f7918075-6
0.422
EDJ-MED-50fe53e8-4
0.422
BEN-DND-02317c5c-9
0.422
JAN-GHE-5a013bed-10
0.421
JAN-GHE-5a013bed-6
0.419
JAN-GHE-5a013bed-9
0.419
PET-UNK-6c2be958-1
0.419
VLA-UCB-05e51b3f-15
0.419
PET-UNK-12d8d43f-1
0.419
ABI-SAT-4d06482b-2
0.418
MAT-POS-f7918075-5
0.417
RUB-POS-1325a9ea-5
0.417
MAT-POS-bb423b95-8
0.417
EDJ-MED-c8e7a002-7
0.417
EDJ-MED-c8e7a002-8
0.417
MAT-POS-90fd5f68-6
0.416
JOH-UNI-a38a7bdd-1
0.416
SAM-UNK-2684b532-13
0.416
EDG-MED-0da5ad92-16
0.416
ALP-POS-95b75b4d-8
0.416
JIN-POS-6dc588a4-8
0.415
VLA-UCB-00f2c2b3-7
0.415
EDJ-MED-00c1612e-1
0.414
PET-UNK-8df914d1-1
0.414
JAN-GHE-5a013bed-7
0.413
NAU-LAT-e1818702-10
0.413
MAT-POS-90fd5f68-23
0.413
EDG-MED-0da5ad92-17
0.412
MAT-POS-f7918075-3
0.412
MIC-UNK-08cd9c58-1
0.412
JIN-POS-6dc588a4-11
0.412
EDJ-MED-49816e9b-3
0.410
EDG-MED-0da5ad92-12
0.410
MAT-POS-bb423b95-1
0.410
MAT-POS-bb423b95-9
0.410
PET-UNK-5ecb6237-1
0.409
PET-UNK-158bee2a-4
0.408
EDG-MED-0da5ad92-2
0.408
MAK-UNK-6ca90168-23
0.407
MAT-POS-90fd5f68-40
0.407
RUB-POS-1325a9ea-4
0.407
MAT-POS-90fd5f68-24
0.407
PET-UNK-8df914d1-3
0.405
ROB-UNI-daaf9793-1
0.405
PET-UNK-7f7e354d-7
0.405
BEN-DND-1e24cf73-3
0.405
MAT-POS-e1b5ac6b-1
0.405
JOH-UNI-50ce7ec3-2
0.404
PET-UNK-f4e47ebd-1
0.404
PET-UNK-d899bab6-3
0.404
PET-UNK-f4e47ebd-2
0.404