Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1OCCO2 |
| MW: | 304.06 |
| Fraction sp3: | 0.2 |
| HBA: | 4 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 60.45 |
| cLogP: | 2.69 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
EDJ-MED-a364e151-3
0.735
EDJ-MED-976da9a6-1
0.590
EDJ-MED-976da9a6-2
0.570
TRY-UNI-714a760b-3
0.527
JAN-GHE-5a013bed-10
0.521
PET-UNK-8df914d1-3
0.521
ALP-POS-95b75b4d-8
0.514
SAM-UNK-2684b532-13
0.514
MAT-POS-f7918075-5
0.487
ADA-UCB-6c2cb422-1
0.487
ALP-POS-95b75b4d-6
0.486
MAT-POS-bb423b95-1
0.481
MAT-POS-bb423b95-9
0.481
TRY-UNI-714a760b-6
0.480
SAM-UNK-2684b532-12
0.474
ABI-SAT-4d06482b-2
0.474
MAT-POS-199e2e7c-1
0.469
MAT-POS-bb423b95-8
0.469
ANN-UNI-98d2bf15-3
0.468
EDJ-MED-a364e151-1
0.463
MAT-POS-f7918075-3
0.463
MIC-UNK-8971c93c-1
0.463
MAT-POS-f7918075-4
0.463
MIC-UNK-08cd9c58-1
0.463
MIC-UNK-50cce87d-2
0.463
MAT-POS-bb423b95-4
0.463
ALP-POS-95b75b4d-5
0.463
MAK-UNK-6ca90168-23
0.462
MAT-POS-f7918075-7
0.458
SAM-UNK-2684b532-11
0.456
MAT-POS-bb423b95-5
0.456
EDG-MED-0da5ad92-16
0.453
EDG-MED-0da5ad92-21
0.453
MIC-UNK-50cce87d-3
0.451
MAT-POS-bb423b95-2
0.451
MIC-UNK-50cce87d-1
0.451
ALP-POS-95b75b4d-7
0.450
EDG-MED-0da5ad92-14
0.447
PET-UNK-8df914d1-1
0.447
EDJ-MED-00c1612e-1
0.447
JAN-GHE-5a013bed-8
0.446
MAT-POS-f7918075-8
0.446
MAT-POS-14ad9fe9-1
0.442
MIC-UNK-50cce87d-4
0.440
ALP-POS-0c2c77e1-1
0.439
MAT-POS-bb423b95-3
0.439
JAN-GHE-5a013bed-9
0.438
MIC-UNK-d935700b-1
0.438
VLA-UCB-00f2c2b3-7
0.432
EDG-MED-0da5ad92-17
0.430
EDG-MED-0da5ad92-12
0.429
EDJ-MED-c8e7a002-12
0.427
EDG-MED-0da5ad92-2
0.427
AGN-NEW-c7b24fe3-1
0.425
PET-UNK-8df914d1-5
0.420
JAN-GHE-5a013bed-6
0.419
MIC-UNK-d935700b-2
0.417
JOH-UNI-6fede743-1
0.417
MAK-UNK-ffc90da7-5
0.417
PET-UNK-8df914d1-4
0.416
AGN-NEW-c7b24fe3-5
0.412
AGN-NEW-c7b24fe3-4
0.412
MIC-UNK-66895286-1
0.408
MAT-POS-f7918075-6
0.405
EDJ-MED-50fe53e8-2
0.405
MAK-UNK-ffc90da7-6
0.404
MAK-UNK-ffc90da7-8
0.402
EDJ-MED-c8e7a002-16
0.400
EDJ-MED-49816e9b-2
0.397
EDG-MED-0da5ad92-13
0.397
NAU-LAT-e1818702-10
0.395
JAN-GHE-5a013bed-7
0.395
BAR-COM-0f94fc3d-28
0.393
EDJ-MED-49816e9b-3
0.392
NAU-LAT-e1818702-1
0.390
JAN-GHE-f4ca5a00-12
0.390
JAN-GHE-5a013bed-11
0.390
MAK-UNK-ffc90da7-3
0.388
EDG-MED-0da5ad92-15
0.388
MIC-UNK-67d4a29a-3
0.386
MAT-POS-199e2e7c-2
0.384
MAK-UNK-ffc90da7-9
0.383
MAT-POS-bb423b95-6
0.381
ALP-POS-3b848b35-3
0.381
JOH-UNI-6fede743-3
0.381
JAG-UCB-a3ef7265-15
0.380
NAU-LAT-e1818702-7
0.380
JAG-UCB-a3ef7265-17
0.380
EDJ-MED-50fe53e8-3
0.376
MAT-POS-4211dce8-1
0.376
EDJ-MED-49816e9b-5
0.375
BAR-COM-0f94fc3d-40
0.375
EDJ-MED-50fe53e8-1
0.372
MAT-POS-e1b5ac6b-1
0.372
MAT-POS-3cc264b0-1
0.372
JOH-UNI-6fede743-4
0.372
JOH-UNI-6fede743-5
0.367
EDG-MED-0da5ad92-18
0.366
JOH-UNI-6fede743-2
0.364
MAT-POS-bb423b95-7
0.364