Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2c1CCCO2 |
MW: | 302.08 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-6c2cb422-1
MAT-POS-199e2e7c-1
0.597
EDJ-MED-a364e151-2
0.570
EDJ-MED-a364e151-1
0.570
EDJ-MED-a364e151-3
0.544
MAT-POS-14ad9fe9-1
0.542
EDJ-MED-976da9a6-1
0.542
RUB-POS-1325a9ea-1
0.506
MAT-POS-f7918075-7
0.506
JOH-UNI-ee5ed7c8-4
0.505
JOH-UNI-3fc3434e-4
0.505
PET-UNK-8df914d1-3
0.494
JAN-GHE-5a013bed-10
0.493
ALP-POS-95b75b4d-8
0.487
SAM-UNK-2684b532-13
0.487
JIN-POS-6dc588a4-12
0.482
TRY-UNI-714a760b-3
0.481
ALP-POS-95b75b4d-6
0.481
MAK-UNK-6ca90168-23
0.475
TRY-UNI-714a760b-6
0.474
JIN-POS-6dc588a4-20
0.471
PET-UNK-7f7e354d-7
0.470
EDG-MED-0da5ad92-16
0.468
JOH-UNI-abfda500-5
0.463
ANN-UNI-98d2bf15-3
0.463
MIC-UNK-8971c93c-1
0.459
MAT-POS-f7918075-4
0.459
RUB-POS-1325a9ea-4
0.453
PET-UNK-b1ef24dc-1
0.452
RUB-POS-1325a9ea-12
0.452
JIN-POS-6dc588a4-13
0.452
JIN-POS-6dc588a4-22
0.452
RUB-POS-1325a9ea-13
0.452
SAM-UNK-2684b532-12
0.451
JIN-POS-6dc588a4-4
0.451
ABI-SAT-4d06482b-2
0.450
PET-UNK-158bee2a-3
0.449
MAT-POS-29385cc1-4
0.448
MAT-POS-90fd5f68-38
0.448
PET-UNK-b1ef24dc-3
0.447
EDJ-MED-c5ca5386-1
0.447
MIC-UNK-50cce87d-1
0.447
RUB-POS-1325a9ea-2
0.447
RUB-POS-1325a9ea-3
0.447
RUB-POS-1325a9ea-5
0.447
MIC-UNK-50cce87d-3
0.447
RUB-POS-1325a9ea-11
0.447
MAT-POS-bb423b95-8
0.447
ADA-UCB-6c2cb422-1
0.446
JOH-UNI-abfda500-4
0.444
PET-UNK-d899bab6-2
0.444
MAT-POS-90fd5f68-1
0.443
JIN-POS-6dc588a4-11
0.442
MIC-UNK-7574fcc6-1
0.442
JAN-GHE-5a013bed-8
0.442
EDJ-MED-6ab52e52-1
0.440
ALP-POS-95b75b4d-5
0.440
MAT-POS-bb423b95-4
0.440
MIC-UNK-51049f1a-6
0.440
MIC-UNK-50cce87d-2
0.440
MAT-POS-bb423b95-1
0.440
MAT-POS-bb423b95-9
0.440
MAT-POS-90fd5f68-3
0.440
PET-UNK-e274cad4-6
0.435
PET-UNK-b1ef24dc-2
0.435
JAN-GHE-5a013bed-9
0.434
JIN-POS-6dc588a4-3
0.434
RUB-POS-1325a9ea-19
0.434
MAT-POS-bb423b95-5
0.434
SAM-UNK-2684b532-11
0.434
MAT-POS-90fd5f68-37
0.432
PET-UNK-6314f867-3
0.432
EDG-MED-0da5ad92-21
0.430
JIN-POS-6dc588a4-10
0.430
EDJ-MED-076d6e64-1
0.430
MAT-POS-f7918075-5
0.430
JIN-POS-6dc588a4-14
0.430
PET-UNK-b1ef24dc-4
0.430
MAT-POS-bb423b95-2
0.430
MAT-POS-90fd5f68-2
0.429
ALP-POS-95b75b4d-7
0.429
MAT-POS-90fd5f68-19
0.427
EDG-MED-0da5ad92-17
0.427
RUB-POS-1325a9ea-8
0.425
RUB-POS-1325a9ea-15
0.425
MIC-UNK-08cd9c58-1
0.425
MAT-POS-f7918075-8
0.425
MAT-POS-f7918075-3
0.425
EDG-MED-0da5ad92-12
0.425
MAT-POS-c20a539d-3
0.424
EDJ-MED-239d8ca5-2
0.424
MAT-POS-90fd5f68-21
0.424
EDJ-MED-c8e7a002-12
0.424
MAT-POS-c20a539d-4
0.422
PET-UNK-d899bab6-1
0.422
MAT-POS-90fd5f68-25
0.422
EDJ-MED-239d8ca5-1
0.422
MAT-POS-90fd5f68-7
0.422
JIN-POS-6dc588a4-18
0.420
MAT-POS-c20a539d-6
0.420
MAT-POS-29385cc1-3
0.420