Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(OC4COC4)cc23)CCOc2ccc(Cl)cc21 |
MW: | 440.11 |
Fraction sp3: | 0.3 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.91 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
EDJ-MED-611d11e7-7
0.785
MAT-POS-24589f88-1
0.785
MAT-POS-96f51285-1
0.785
ALF-EVA-82cf4849-11
0.745
ALF-EVA-82cf4849-13
0.720
EDJ-MED-611d11e7-4
0.716
MAT-POS-a5ef2d74-2
0.716
MAT-POS-ec6d90b7-4
0.716
PET-UNK-ee8352fa-1
0.694
EDJ-MED-611d11e7-1
0.687
MAT-POS-96f51285-2
0.687
ALP-POS-93b3621f-3
0.673
PET-UNK-29afea89-2
0.670
EDJ-MED-d08626de-2
0.670
EDG-MED-0e5afe9d-3
0.670
EDJ-MED-d08626de-1
0.670
ALF-EVA-82cf4849-8
0.667
EDG-MED-10fcb19e-5
0.663
PET-UNK-a7639856-1
0.660
EDG-MED-10fcb19e-1
0.660
EDG-MED-10fcb19e-3
0.660
PET-UNK-f4e47ebd-17
0.646
MAT-POS-a5ef2d74-3
0.646
EDJ-MED-611d11e7-10
0.646
PET-UNK-ee8352fa-2
0.631
ALF-EVA-82cf4849-4
0.624
PET-UNK-f4e47ebd-18
0.621
PET-UNK-b38839dc-20
0.621
PET-UNK-b38839dc-19
0.621
PET-UNK-ee8352fa-3
0.615
PET-UNK-5d7c542f-2
0.615
PET-UNK-5d7c542f-1
0.612
ALP-POS-6f6ae286-3
0.612
PET-UNK-a7639856-2
0.604
EDG-MED-10fcb19e-2
0.598
PET-UNK-f4e47ebd-19
0.596
ALP-POS-93b3621f-4
0.594
PET-UNK-0df12184-2
0.594
EDJ-MED-1b46f08e-1
0.593
EDJ-MED-6bf93aa8-1
0.583
PET-UNK-0df12184-1
0.583
MAR-UCB-fd2e172f-41
0.578
PET-UNK-b38839dc-18
0.578
MIC-UNK-7f86385f-1
0.578
MAR-UCB-fd2e172f-31
0.577
PET-UNK-a7639856-3
0.577
MAR-UCB-fd2e172f-13
0.575
PET-UNK-c761fc18-5
0.573
PET-UNK-0df12184-5
0.573
MAR-UCB-fd2e172f-24
0.573
MIC-UNK-7f86385f-2
0.568
PET-UNK-0df12184-3
0.567
MIC-UNK-7f86385f-3
0.566
MIC-UNK-7f86385f-5
0.561
PET-UNK-824b5c6a-3
0.561
PET-UNK-0df12184-4
0.558
MAR-UCB-fd2e172f-25
0.558
MAR-UCB-fd2e172f-28
0.556
ALP-POS-5de921e7-1
0.554
MIC-UNK-7f86385f-4
0.553
PET-UNK-bcc8fd08-2
0.551
PET-UNK-c761fc18-1
0.547
MAR-UCB-fd2e172f-20
0.547
JOH-UNI-6e27fddc-1
0.547
MAR-UCB-fd2e172f-43
0.546
PET-UNK-d9de6a0b-1
0.545
MAR-UCB-fd2e172f-22
0.543
JOH-UNI-99d163e5-6
0.542
PET-UNK-03fd2068-7
0.542
MAR-UCB-fd2e172f-21
0.538
MAR-UCB-fd2e172f-27
0.538
PET-UNK-824b5c6a-1
0.537
PET-UNK-3bb57da2-3
0.536
EDJ-MED-28ec730d-3
0.536
PET-UNK-49566573-3
0.535
MAR-UCB-fd2e172f-14
0.533
ED_-GRI-5b13fbe2-70
0.531
ED_-GRI-5b13fbe2-71
0.531
ED_-GRI-5b13fbe2-69
0.531
ALP-POS-e6e0c683-2
0.528
MAR-UCB-fd2e172f-16
0.528
MAR-UCB-fd2e172f-35
0.528
RAL-THA-58fba2bc-4
0.527
ED_-GRI-5b13fbe2-72
0.527
EDG-MED-4c68219f-16
0.527
ALP-POS-e6e0c683-1
0.523
PET-UNK-824b5c6a-2
0.523
MAR-UCB-fd2e172f-36
0.519
MAR-UCB-fd2e172f-34
0.519
MIC-UNK-5d22d78d-1
0.518
PET-UNK-3bb57da2-1
0.518
PET-UNK-49566573-4
0.517
EDJ-MED-ee742daa-1
0.514
MAR-UCB-6ab2ec87-3
0.514
JOH-UNI-99d163e5-2
0.514
DAR-DIA-e7614d05-1
0.514
PET-UNK-bcc8fd08-1
0.514
DAR-DIA-e7614d05-2
0.514
ALP-POS-93b3621f-1
0.514
DAR-DIA-e7614d05-3
0.514