Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3occc23)CCOc2ccc(Cl)cc21 |
MW: | 358.07 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 73.59 |
cLogP: | 3.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-29afea89-2
PET-UNK-7f7e354d-5
PET-UNK-7f7e354d-4
PET-UNK-7f7e354d-3
PET-UNK-7f7e354d-7
PET-UNK-7f7e354d-1
PET-UNK-7f7e354d-6
PET-UNK-7f7e354d-2
PET-UNK-b38839dc-28
PET-UNK-b38839dc-27
PET-UNK-b38839dc-26
PET-UNK-b38839dc-25
PET-UNK-b38839dc-24
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-20
PET-UNK-b38839dc-16
PET-UNK-b38839dc-10
PET-UNK-b38839dc-8
PET-UNK-b38839dc-6
PET-UNK-b38839dc-2
PET-UNK-b38839dc-1
PET-UNK-b38839dc-29
PET-UNK-b38839dc-17
PET-UNK-b38839dc-12
PET-UNK-b38839dc-15
PET-UNK-b38839dc-23
PET-UNK-b38839dc-19
PET-UNK-b38839dc-13
PET-UNK-b38839dc-11
PET-UNK-b38839dc-9
PET-UNK-b38839dc-7
PET-UNK-b38839dc-4
PET-UNK-b38839dc-3
PET-UNK-b38839dc-30
PET-UNK-b38839dc-14
PET-UNK-b38839dc-5
PET-UNK-b38839dc-18
MAR-UCB-fd2e172f-41
1.000
PET-UNK-0df12184-2
0.721
MAR-UCB-fd2e172f-13
0.674
MAR-UCB-fd2e172f-31
0.659
MAT-POS-96f51285-2
0.656
EDJ-MED-611d11e7-1
0.656
EDG-MED-0e5afe9d-3
0.656
PET-UNK-0df12184-5
0.656
EDJ-MED-d08626de-2
0.656
PET-UNK-29afea89-2
0.656
EDJ-MED-d08626de-1
0.656
MAR-UCB-fd2e172f-24
0.656
MAR-UCB-fd2e172f-25
0.656
PET-UNK-81b485b5-5
0.652
PET-UNK-81b485b5-19
0.652
EDJ-MED-611d11e7-4
0.648
MAT-POS-ec6d90b7-4
0.648
PET-UNK-0df12184-1
0.648
PET-UNK-f4e47ebd-17
0.648
EDJ-MED-611d11e7-10
0.648
MAT-POS-a5ef2d74-3
0.648
MAT-POS-a5ef2d74-2
0.648
EDJ-MED-611d11e7-7
0.645
MAT-POS-96f51285-1
0.645
MAT-POS-24589f88-1
0.645
PET-UNK-b38839dc-30
0.641
PET-UNK-ee8352fa-2
0.632
ALP-POS-6f6ae286-3
0.628
PET-UNK-5d7c542f-1
0.628
PET-UNK-f4e47ebd-19
0.628
PET-UNK-ee8352fa-1
0.628
PET-UNK-b38839dc-19
0.621
PET-UNK-f4e47ebd-18
0.621
MAR-UCB-fd2e172f-43
0.621
PET-UNK-b38839dc-20
0.621
PET-UNK-0df12184-4
0.620
ALP-POS-5de921e7-1
0.618
EDG-MED-10fcb19e-5
0.616
MAR-UCB-fd2e172f-21
0.615
PET-UNK-5d7c542f-2
0.615
MAR-UCB-fd2e172f-28
0.615
PET-UNK-ee8352fa-3
0.615
MAR-UCB-fd2e172f-27
0.613
MAR-UCB-fd2e172f-2
0.613
EDJ-MED-6bf93aa8-1
0.612
EDG-MED-10fcb19e-3
0.612
ALP-POS-93b3621f-3
0.608
ALP-POS-93b3621f-4
0.608
ALP-POS-e6e0c683-2
0.602
ALF-EVA-82cf4849-8
0.602
PET-UNK-a7639856-2
0.602
EDG-MED-10fcb19e-1
0.596
EDG-MED-10fcb19e-2
0.596
ALF-EVA-82cf4849-11
0.596
PET-UNK-a7639856-1
0.596
ALP-POS-e6e0c683-1
0.596
PET-UNK-0df12184-3
0.596
MAR-UCB-fd2e172f-26
0.594
MAR-UCB-fd2e172f-30
0.592
MIC-UNK-7f86385f-1
0.590
EDJ-MED-1b46f08e-1
0.590
ALF-EVA-82cf4849-13
0.590
MAR-UCB-fd2e172f-14
0.589
MAR-UCB-fd2e172f-20
0.589
PET-UNK-c761fc18-1
0.589
MAR-UCB-fd2e172f-29
0.589
MAR-UCB-fd2e172f-18
0.588
MAR-UCB-fd2e172f-12
0.588
EDJ-MED-ee742daa-1
0.587
JOH-UNI-99d163e5-2
0.585
PET-UNK-c761fc18-5
0.585
MAR-UCB-fd2e172f-22
0.585
MAR-UCB-fd2e172f-35
0.583
MIC-UNK-7f86385f-2
0.578
ALF-EVA-82cf4849-12
0.578
MIC-UNK-7f86385f-4
0.577
MAR-UCB-fd2e172f-34
0.573
PET-UNK-f9b7ae87-4
0.573
JOH-UNI-6e27fddc-1
0.573
MAR-UCB-fd2e172f-36
0.573
PET-UNK-b38839dc-27
0.573
PET-UNK-a7639856-3
0.573
MIC-UNK-7f86385f-5
0.571
MAR-UCB-fd2e172f-16
0.568
JOH-UNI-99d163e5-6
0.567
ALP-POS-5de921e7-2
0.566
PET-UNK-b38839dc-21
0.566
ALP-POS-5de921e7-5
0.565
MIC-UNK-7f86385f-3
0.562
PET-UNK-b38839dc-24
0.559
ALF-EVA-82cf4849-4
0.557
MAR-UCB-fd2e172f-19
0.553
MAR-UCB-fd2e172f-1
0.546
MAR-UCB-fd2e172f-9
0.542
MAR-UCB-fd2e172f-40
0.541
ALP-POS-5de921e7-6
0.538
MAR-UCB-fd2e172f-23
0.536
MAR-UCB-fd2e172f-5
0.535
MAR-UCB-fd2e172f-8
0.531
MAR-UCB-fd2e172f-6
0.530