Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ccncc1NC(=O)Cc1cccc(O)c1 |
| MW: | 242.278 |
| Fraction sp3: | 0.14 |
| HBA: | 3 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 62.22 |
| cLogP: | 2.27682 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine Extended REAL: | s_22____3391102____8593040 |
| Mcule: | MCULE-4040411572 |
| MolPort: | MolPort-014-404-871 |
| Order Status | |
| Ordered: | 2020-05-17 |
| Synthesis Location: | enamine |
| Shipped: | 2020-06-10 |
AAR-POS-d2a4d1df-1
TRY-UNI-714a760b-6
0.700
JAN-GHE-83b26c96-13
0.700
EDJ-MED-e58735b6-2
0.700
EDJ-MED-e58735b6-1
0.694
ALP-POS-95b75b4d-1
0.689
JAN-GHE-83b26c96-12
0.689
JAN-GHE-83b26c96-14
0.656
ALP-POS-95b75b4d-3
0.656
DAR-DIA-0cde14eb-76
0.656
ANN-UNI-98d2bf15-2
0.656
ANN-UNI-98d2bf15-5
0.652
TRY-UNI-714a760b-20
0.646
DAR-DIA-0cde14eb-2
0.642
DAR-DIA-0cde14eb-78
0.636
DAR-DIA-0cde14eb-79
0.636
EDJ-MED-e58735b6-3
0.636
DAR-DIA-0cde14eb-77
0.632
TRY-UNI-714a760b-5
0.627
ALP-POS-95b75b4d-4
0.627
DAR-DIA-0cde14eb-1
0.627
DAR-DIA-0cde14eb-4
0.609
DAR-DIA-0cde14eb-3
0.609
SAD-SAT-7d5528d9-1
0.597
MIH-UNI-6b9ca91a-1
0.597
EDJ-MED-e58735b6-4
0.592
RAL-THA-901e9a10-7
0.589
BRU-LEF-c49414a7-1
0.589
DAR-DIA-0cde14eb-14
0.583
JAN-GHE-83b26c96-11
0.574
EDG-MED-0da5ad92-8
0.554
TRY-UNI-2eddb1ff-2
0.554
VLA-UCB-00f2c2b3-2
0.549
JOH-UNI-abfda500-6
0.530
ANN-UNI-98d2bf15-1
0.530
GAB-REV-70cc3ca5-20
0.522
VLA-UCB-00f2c2b3-1
0.521
MAK-UNK-6ca90168-26
0.517
ASH-SAT-43770c7d-9
0.517
EDJ-MED-c9f55a56-1
0.515
TRY-UNI-2eddb1ff-1
0.514
ALP-POS-f13221e1-4
0.514
GAB-REV-70cc3ca5-18
0.514
BEN-DND-93268d01-6
0.507
RAL-THA-6b94ceba-13
0.507
MAT-POS-c9973a83-1
0.500
ALE-HEI-f28a35b5-3
0.500
RAL-THA-6b94ceba-6
0.500
RAL-THA-6b94ceba-14
0.493
BEN-DND-93268d01-10
0.493
ALE-HEI-f28a35b5-12
0.492
RAL-THA-6b94ceba-7
0.486
GAB-REV-70cc3ca5-13
0.486
RAL-THA-6b94ceba-5
0.480
RAL-THA-6b94ceba-15
0.480
EDG-MED-0da5ad92-6
0.478
WIL-MOD-03b86a88-3
0.474
WIL-MOD-03b86a88-5
0.474
RAL-THA-6b94ceba-12
0.474
RAL-THA-6b94ceba-16
0.474
DAR-DIA-0cde14eb-61
0.473
DAR-DIA-0cde14eb-64
0.473
ALP-POS-95b75b4d-9
0.472
MAT-POS-590ac91e-10
0.471
MAT-POS-590ac91e-6
0.470
PET-SGC-6e7c5dc0-1
0.470
MAT-POS-590ac91e-11
0.469
WIL-MOD-03b86a88-6
0.468
NAU-LAT-0543f7f2-7
0.468
RAL-THA-6b94ceba-8
0.468
DAR-DIA-0cde14eb-62
0.467
DAR-DIA-0cde14eb-63
0.467
AAR-POS-d2a4d1df-3
0.464
MAK-UNK-6435e6c2-8
0.464
ALP-POS-95b75b4d-6
0.464
MAT-POS-590ac91e-17
0.464
RAL-THA-901e9a10-8
0.463
NAU-LAT-0543f7f2-6
0.462
RAL-THA-6b94ceba-9
0.462
WIL-MOD-03b86a88-2
0.462
GAB-REV-70cc3ca5-23
0.461
THO-SYG-cc9e9a11-2
0.461
BEN-DND-93268d01-7
0.458
BEN-DND-93268d01-13
0.457
BEN-DND-93268d01-5
0.457
RAL-THA-901e9a10-1
0.457
BEN-DND-93268d01-11
0.456
MAT-POS-590ac91e-23
0.456
BEN-DND-09b88bf4-5
0.456
BEN-DND-93268d01-9
0.456
RAL-THA-6b94ceba-11
0.456
MAT-POS-e501d84c-1
0.456
BAR-COM-0f94fc3d-28
0.456
RIT-AID-a492ba81-1
0.453
RAL-THA-6b94ceba-4
0.452
BEN-DND-22e6b372-4
0.451
BEN-DND-93268d01-4
0.451
ALE-HEI-f28a35b5-10
0.449
MAT-POS-590ac91e-24
0.449
ALP-POS-95b75b4d-8
0.449
SAM-UNK-2684b532-13
0.449