Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccc(C4COC4)cc23)CCOc2ccc(Cl)cc21 |
MW: | 424.12 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
MAT-POS-ec6d90b7-4
0.731
EDJ-MED-611d11e7-4
0.731
MAT-POS-a5ef2d74-2
0.731
PET-UNK-ee8352fa-1
0.726
ALF-EVA-82cf4849-12
0.720
EDJ-MED-611d11e7-7
0.708
MAT-POS-96f51285-1
0.708
MAT-POS-24589f88-1
0.708
EDJ-MED-611d11e7-1
0.701
MAT-POS-96f51285-2
0.701
PET-UNK-a7639856-1
0.690
ALP-POS-93b3621f-3
0.687
EDJ-MED-d08626de-1
0.684
PET-UNK-29afea89-2
0.684
EDG-MED-0e5afe9d-3
0.684
EDJ-MED-d08626de-2
0.684
ALF-EVA-82cf4849-8
0.680
EDG-MED-10fcb19e-3
0.673
EDG-MED-10fcb19e-1
0.673
ALF-EVA-82cf4849-11
0.673
EDG-MED-10fcb19e-5
0.660
MAT-POS-a5ef2d74-3
0.660
PET-UNK-f4e47ebd-17
0.660
EDJ-MED-611d11e7-10
0.660
PET-UNK-5d7c542f-2
0.644
ALF-EVA-82cf4849-4
0.636
PET-UNK-f4e47ebd-18
0.634
PET-UNK-b38839dc-20
0.634
PET-UNK-b38839dc-19
0.634
PET-UNK-ee8352fa-2
0.627
PET-UNK-ee8352fa-3
0.627
PET-UNK-5d7c542f-1
0.624
ALP-POS-6f6ae286-3
0.624
PET-UNK-0df12184-2
0.622
PET-UNK-a7639856-2
0.615
EDG-MED-10fcb19e-2
0.610
PET-UNK-f4e47ebd-19
0.608
ALP-POS-93b3621f-4
0.606
EDJ-MED-6bf93aa8-1
0.594
PET-UNK-b38839dc-18
0.590
MAR-UCB-fd2e172f-41
0.590
MIC-UNK-7f86385f-1
0.589
EDJ-MED-1b46f08e-1
0.589
PET-UNK-a7639856-3
0.587
MAR-UCB-fd2e172f-24
0.584
PET-UNK-0df12184-5
0.584
MAR-UCB-fd2e172f-21
0.580
PET-UNK-0df12184-1
0.578
MIC-UNK-7f86385f-2
0.578
MAR-UCB-fd2e172f-31
0.573
PET-UNK-d9de6a0b-1
0.569
PET-UNK-c761fc18-5
0.569
PET-UNK-0df12184-4
0.569
MAR-UCB-fd2e172f-25
0.569
ALP-POS-5de921e7-1
0.566
PET-UNK-0df12184-3
0.563
MIC-UNK-7f86385f-3
0.562
MIC-UNK-7f86385f-4
0.562
PET-UNK-bcc8fd08-2
0.562
JOH-UNI-6e27fddc-1
0.558
PET-UNK-c761fc18-1
0.558
MAR-UCB-fd2e172f-20
0.558
MIC-UNK-7f86385f-5
0.558
MAR-UCB-fd2e172f-13
0.557
MAR-UCB-fd2e172f-43
0.557
MAR-UCB-fd2e172f-22
0.553
PET-UNK-03fd2068-7
0.552
MAR-UCB-fd2e172f-28
0.551
MAR-UCB-fd2e172f-27
0.548
PET-UNK-824b5c6a-1
0.547
PET-UNK-3bb57da2-3
0.546
PET-UNK-49566573-3
0.545
PET-UNK-824b5c6a-3
0.542
MIC-UNK-5d22d78d-1
0.541
MAR-UCB-fd2e172f-5
0.538
JOH-UNI-99d163e5-6
0.538
EDG-MED-4c68219f-10
0.537
EDG-MED-4c68219f-16
0.536
PET-UNK-10c83c8b-1
0.533
PET-UNK-824b5c6a-2
0.532
PET-UNK-0cc03aae-5
0.532
EDJ-MED-28ec730d-3
0.532
PET-UNK-d9de6a0b-2
0.531
MAR-UCB-fd2e172f-14
0.528
MAR-UCB-fd2e172f-34
0.528
MAR-UCB-fd2e172f-18
0.528
PET-UNK-3bb57da2-1
0.527
ED_-GRI-5b13fbe2-69
0.527
ED_-GRI-5b13fbe2-71
0.527
ED_-GRI-5b13fbe2-70
0.527
MAR-UCB-6ab2ec87-3
0.524
EDJ-MED-ee742daa-1
0.524
ALP-POS-e6e0c683-2
0.524
JOH-UNI-99d163e5-2
0.524
MAR-UCB-fd2e172f-16
0.524
DAR-DIA-e7614d05-2
0.523
ALP-POS-93b3621f-1
0.523
DAR-DIA-e7614d05-3
0.523
DAR-DIA-e7614d05-1
0.523
PET-UNK-bcc8fd08-1
0.523