Molecule Details
| Molecular Properties | |
| SMILES: | Cc1ncncc1NC(=O)Cc1cccc(Cl)c1 |
| MW: | 261.07 |
| Fraction sp3: | 0.15 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 54.88 |
| cLogP: | 2.62 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Enamine REAL: | s_22____14958492____3020518 |
| Enamine Extended REAL: | s_22____14958492____3020518 |
EDG-MED-0da5ad92-14
0.594
TRY-UNI-714a760b-6
0.585
PET-UNK-8df914d1-3
0.585
TRY-UNI-714a760b-3
0.567
JAN-GHE-5a013bed-10
0.562
ALP-POS-95b75b4d-8
0.554
SAM-UNK-2684b532-13
0.554
EDG-MED-0da5ad92-16
0.554
EDG-MED-0da5ad92-21
0.554
ALP-POS-95b75b4d-6
0.545
EDG-MED-0da5ad92-17
0.544
JOH-UNI-abfda500-4
0.544
JAN-GHE-5a013bed-9
0.540
MAK-UNK-6ca90168-23
0.536
RUB-POS-1325a9ea-19
0.529
JIN-POS-6dc588a4-3
0.529
MAT-POS-bb423b95-5
0.529
JOH-UNI-abfda500-5
0.522
ANN-UNI-98d2bf15-3
0.522
JAN-GHE-83b26c96-7
0.521
RUB-POS-1325a9ea-5
0.521
RUB-POS-1325a9ea-3
0.521
MIC-UNK-50cce87d-3
0.521
RUB-POS-1325a9ea-8
0.514
EDG-MED-0da5ad92-13
0.507
EDJ-MED-49816e9b-2
0.507
JIN-POS-6dc588a4-4
0.507
MIC-UNK-d935700b-1
0.507
SAM-UNK-2684b532-12
0.507
SAM-UNK-2684b532-11
0.507
JIN-POS-6dc588a4-6
0.507
RUB-POS-1325a9ea-4
0.507
JAN-GHE-5a013bed-8
0.500
MAT-POS-bb423b95-2
0.500
RUB-POS-1325a9ea-11
0.500
ALP-POS-95b75b4d-7
0.500
PET-UNK-f4e47ebd-2
0.500
PET-UNK-f4e47ebd-1
0.500
MAT-POS-199e2e7c-1
0.500
EDG-MED-0da5ad92-12
0.500
JIN-POS-6dc588a4-10
0.500
ADA-UCB-6c2cb422-1
0.500
MAT-POS-f7918075-8
0.493
RUB-POS-1325a9ea-15
0.493
MAT-POS-f7918075-3
0.493
MIC-UNK-08cd9c58-1
0.493
ALP-POS-95b75b4d-5
0.493
MAT-POS-bb423b95-1
0.493
MAT-POS-bb423b95-9
0.493
MAT-POS-bb423b95-4
0.493
MIC-UNK-50cce87d-2
0.493
MAT-POS-14ad9fe9-1
0.487
MIC-UNK-50cce87d-4
0.487
RUB-POS-1325a9ea-9
0.487
JIN-POS-6dc588a4-18
0.487
RUB-POS-1325a9ea-14
0.487
EDJ-MED-a364e151-3
0.486
RUB-POS-1325a9ea-12
0.486
RUB-POS-1325a9ea-13
0.486
JIN-POS-6dc588a4-13
0.486
ALP-POS-0c2c77e1-1
0.486
MAT-POS-bb423b95-3
0.486
JIN-POS-6dc588a4-22
0.486
PET-UNK-8df914d1-4
0.485
JIN-POS-6dc588a4-14
0.480
MAT-POS-f7918075-5
0.480
MAT-POS-bb423b95-8
0.480
RUB-POS-1325a9ea-2
0.480
MIC-UNK-50cce87d-1
0.480
JIN-POS-6dc588a4-12
0.480
AGN-NEW-c7b24fe3-5
0.479
AGN-NEW-c7b24fe3-4
0.479
EDJ-MED-49816e9b-5
0.478
EDJ-MED-49816e9b-3
0.478
EDG-MED-0da5ad92-2
0.478
PET-UNK-8df914d1-1
0.474
EDJ-MED-00c1612e-1
0.474
JIN-POS-6dc588a4-11
0.474
JIN-POS-6dc588a4-23
0.474
EDJ-MED-a364e151-1
0.474
EDJ-MED-a364e151-2
0.474
MAT-POS-f7918075-4
0.474
MIC-UNK-8971c93c-1
0.474
RUB-POS-1325a9ea-17
0.473
EDJ-MED-c8e7a002-12
0.473
AGN-NEW-c7b24fe3-1
0.472
JAN-GHE-5a013bed-6
0.470
MAT-POS-f7918075-7
0.468
RUB-POS-1325a9ea-1
0.468
EDG-MED-0da5ad92-18
0.465
JAG-UCB-a3ef7265-15
0.464
PET-UNK-6314f867-3
0.462
JIN-POS-6dc588a4-24
0.461
JOH-UNI-6fede743-1
0.461
VLA-UCB-00f2c2b3-7
0.459
MIC-UNK-66895286-1
0.456
JOH-UNI-3fc3434e-3
0.456
JOH-UNI-ee5ed7c8-3
0.456
JIN-POS-6dc588a4-9
0.453
EDG-MED-0da5ad92-15
0.451