Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cc(F)ccc1F)Nc1cnccc1O |
| MW: | 264.07 |
| Fraction sp3: | 0.08 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 62.22 |
| cLogP: | 2.25 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-1908547715 |
| MolPort: | MolPort-028-291-683 |
RAL-THA-2d450e86-26
0.528
ALP-POS-95b75b4d-6
0.500
BAR-COM-0f94fc3d-34
0.413
RAL-THA-2d450e86-25
0.370
PET-UNK-dd44aeb6-1
0.370
MAR-TRE-74c6519b-57
0.359
ALP-POS-95b75b4d-1
0.351
RAL-THA-2d450e86-37
0.346
BEN-DND-93268d01-15
0.338
JAG-UCB-cedd89ab-9
0.338
ALP-POS-95b75b4d-9
0.338
MAT-POS-f42f3716-4
0.337
PET-SGC-1c3a473d-1
0.326
MAK-UNK-6ca90168-23
0.325
BEN-DND-61647d40-18
0.325
JOH-UNI-abfda500-6
0.325
ANN-UNI-98d2bf15-1
0.325
EDG-MED-0da5ad92-7
0.322
THO-SYG-cc9e9a11-5
0.321
RAL-THA-6b94ceba-13
0.321
SAM-UNK-2684b532-11
0.321
ALP-POS-95b75b4d-2
0.321
RAL-THA-6b94ceba-5
0.318
MAR-TRE-9c797165-1
0.313
ALP-POS-95b75b4d-8
0.312
CHR-SOS-7098f804-10
0.312
SAM-UNK-2684b532-13
0.312
BAR-COM-0f94fc3d-44
0.311
NAU-LAT-0543f7f2-7
0.310
BEN-DND-93268d01-7
0.309
THO-SYG-cc9e9a11-7
0.309
TRY-UNI-2eddb1ff-2
0.308
EDG-MED-0da5ad92-8
0.308
NAU-LAT-30527ac5-2
0.307
THO-SYG-cc9e9a11-1
0.306
SAD-SAT-24589cd1-5
0.305
JIN-POS-6dc588a4-4
0.305
SAM-UNK-2684b532-12
0.305
JIN-POS-6dc588a4-3
0.305
NAU-LAT-0543f7f2-8
0.304
BEN-DND-93268d01-5
0.304
TRY-UNI-714a760b-6
0.304
RAL-THA-6b94ceba-15
0.302
BAR-COM-0f94fc3d-49
0.302
THO-SYG-cc9e9a11-6
0.302
MAT-POS-590ac91e-11
0.301
ALP-POS-95b75b4d-7
0.301
BEN-DND-93268d01-6
0.301
NAU-LAT-30527ac5-5
0.299
NAU-LAT-0543f7f2-3
0.299
RAL-THA-6b94ceba-12
0.299
RAL-THA-6b94ceba-16
0.299
BAR-COM-0f94fc3d-18
0.299
BEN-DND-93268d01-11
0.299
THO-SYG-cc9e9a11-3
0.298
RAL-THA-6b94ceba-6
0.298
JOH-UNI-abfda500-5
0.296
ANN-UNI-98d2bf15-3
0.296
JOH-UNI-abfda500-4
0.296
ASH-SAT-43770c7d-9
0.296
RAL-THA-6b94ceba-8
0.295
EDJ-MED-c9f55a56-1
0.295
ANN-UNI-98d2bf15-5
0.294
ALP-POS-0c2c77e1-1
0.294
MAT-POS-bb423b95-3
0.294
TRY-UNI-714a760b-5
0.293
JAN-GHE-83b26c96-11
0.293
EDJ-MED-e58735b6-1
0.293
JUL-TUD-06b2044f-96
0.292
MAK-UNK-6ca90168-29
0.292
CHA-KIN-ceadbd93-2
0.291
MAK-UNK-919546f0-4
0.291
MAR-TRE-f6f5f473-51
0.291
DAR-DIA-0cde14eb-2
0.291
RAL-THA-6b94ceba-7
0.291
DAR-DIA-03336633-9
0.290
MAK-UNK-6ca90168-26
0.290
RUB-POS-1325a9ea-19
0.289
CHA-KIN-ceadbd93-5
0.289
MAT-POS-bb423b95-5
0.289
DAR-DIA-0cde14eb-76
0.289
ANN-UNI-98d2bf15-2
0.289
JAN-GHE-83b26c96-14
0.289
ALP-POS-95b75b4d-3
0.289
RAL-THA-2d450e86-29
0.289
MAT-POS-bbbbc21a-1
0.289
MAT-POS-3b92565d-1
0.289
EDJ-MED-e58735b6-2
0.287
BEN-DND-61647d40-8
0.287
GAB-REV-70cc3ca5-20
0.287
JAN-GHE-83b26c96-13
0.287
JIN-POS-6dc588a4-11
0.287
THO-SYG-cc9e9a11-2
0.287
RAL-THA-2d450e86-14
0.287
ALP-POS-df536be7-3
0.287
MAT-POS-590ac91e-7
0.286
NAU-LAT-2fed8305-9
0.286
MAK-UNK-f203cb68-4
0.284
PET-SGC-175e168c-1
0.284
TRY-UNI-1fd04853-1
0.284