Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnn(C)c23)CCOc2c(F)cc(Cl)cc21 |
MW: | 390.09 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 78.27 |
cLogP: | 3.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-a7639856-3
PET-UNK-a7639856-1
PET-UNK-7f7e354d-7
RAL-THA-05e671eb-17
JIN-POS-6dc588a4-22
RUB-POS-1325a9ea-12
EDJ-MED-37aac4bd-4
EDG-MED-10fcb19e-1
PET-UNK-a7639856-2
PET-UNK-f4e47ebd-2
PET-UNK-d899bab6-2
PET-UNK-b38839dc-1
RAL-THA-2d450e86-14
RUB-POS-1325a9ea-14
MAT-POS-96f51285-2
PET-UNK-f4e47ebd-1
JIN-POS-6dc588a4-11
PET-UNK-81b485b5-17
1.000
PET-UNK-c761fc18-1
0.653
PET-UNK-81b485b5-6
0.633
PET-UNK-81b485b5-20
0.633
PET-UNK-81b485b5-2
0.629
PET-UNK-81b485b5-16
0.629
PET-UNK-81b485b5-1
0.629
PET-UNK-81b485b5-15
0.629
PET-UNK-81b485b5-7
0.626
PET-UNK-81b485b5-21
0.626
PET-UNK-81b485b5-27
0.614
PET-UNK-81b485b5-13
0.614
PET-UNK-81b485b5-22
0.614
PET-UNK-81b485b5-8
0.614
PET-UNK-81b485b5-28
0.604
PET-UNK-81b485b5-14
0.604
PET-UNK-81b485b5-12
0.602
PET-UNK-81b485b5-26
0.602
PET-UNK-81b485b5-10
0.596
PET-UNK-81b485b5-24
0.596
PET-UNK-81b485b5-5
0.596
PET-UNK-81b485b5-19
0.596
PET-UNK-c761fc18-3
0.580
PET-UNK-81b485b5-18
0.574
PET-UNK-81b485b5-4
0.574
PET-UNK-c761fc18-4
0.574
PET-UNK-81b485b5-11
0.574
PET-UNK-81b485b5-25
0.574
PET-UNK-81b485b5-23
0.570
PET-UNK-81b485b5-9
0.570
PET-UNK-b78139fa-10
0.566
PET-UNK-4b4f2bb7-1
0.559
PET-UNK-f9b7ae87-1
0.538
PET-UNK-c761fc18-2
0.514
MAT-POS-932d1078-3
0.472
MAT-POS-932d1078-2
0.472
EDJ-MED-37aac4bd-4
0.472
ALP-POS-fe871b40-3
0.455
PET-UNK-c761fc18-5
0.449
EDJ-MED-ee742daa-3
0.443
ALP-POS-6f6ae286-3
0.420
PET-UNK-5d7c542f-1
0.420
PET-UNK-e274cad4-2
0.413
EDJ-MED-611d11e7-4
0.405
MAT-POS-a5ef2d74-2
0.405
MAT-POS-ec6d90b7-4
0.405
PET-UNK-b78139fa-1
0.404
PET-UNK-b38839dc-19
0.404
PET-UNK-ee8352fa-2
0.400
ALP-POS-93b3621f-4
0.397
EDJ-MED-d08626de-1
0.396
PET-UNK-29afea89-2
0.396
EDG-MED-0e5afe9d-3
0.396
PET-UNK-0df12184-4
0.396
EDJ-MED-d08626de-2
0.396
MAR-UCB-fd2e172f-19
0.394
PET-UNK-a7639856-2
0.393
PET-UNK-0df12184-3
0.393
PET-UNK-c761fc18-7
0.393
PET-UNK-e274cad4-5
0.393
PET-UNK-03fd2068-8
0.391
PET-UNK-c761fc18-8
0.389
JOH-UNI-6e27fddc-1
0.389
PET-UNK-a7639856-3
0.388
PET-UNK-f4e47ebd-21
0.386
ALP-POS-fe871b40-11
0.386
MAT-POS-993cdc78-1
0.386
MAT-POS-993cdc78-2
0.386
ALP-POS-93b3621f-3
0.385
EDJ-MED-93390d0c-3
0.385
EDJ-MED-37aac4bd-5
0.384
PET-UNK-c0891748-7
0.384
MAR-UCB-fd2e172f-25
0.384
ALP-POS-fe871b40-7
0.384
PET-UNK-c0891748-1
0.384
PET-UNK-e274cad4-1
0.382
RUB-POS-1325a9ea-14
0.382
EDJ-MED-ee742daa-1
0.382
PET-UNK-f4e47ebd-17
0.381
MAT-POS-a5ef2d74-3
0.381
EDJ-MED-611d11e7-10
0.381
PET-UNK-f4e47ebd-18
0.379
EDJ-MED-611d11e7-1
0.379
MAT-POS-96f51285-2
0.379
PET-UNK-b78139fa-13
0.378
ALF-EVA-82cf4849-11
0.378
MAR-UCB-fd2e172f-20
0.377
PET-UNK-e274cad4-3
0.377
MAR-UCB-fd2e172f-40
0.377
PET-UNK-4b4f2bb7-4
0.377
ALP-POS-5de921e7-1
0.376
PET-UNK-5d7c542f-2
0.376
PET-UNK-7279c968-1
0.375
PET-UNK-e274cad4-4
0.375
EDJ-MED-1b46f08e-1
0.375
PET-UNK-03fd2068-7
0.374
PET-UNK-f4e47ebd-23
0.373
PET-UNK-ee8352fa-1
0.371
MAT-POS-96f51285-1
0.371
EDJ-MED-611d11e7-7
0.371