Molecular Properties | |
SMILES: | CNC(=O)NS(=O)(=O)c1ccc2c(NC(=O)C3(OC)CCOc4ccc(Cl)cc43)cncc2c1 |
MW: | 504.09 |
Fraction sp3: | 0.23 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 135.72 |
cLogP: | 2.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-6bf93aa8-1
EDJ-MED-6bf93aa8-1
0.851
MIC-UNK-7f86385f-2
0.844
MIC-UNK-7f86385f-1
0.823
EDJ-MED-1b46f08e-1
0.750
MIC-UNK-7f86385f-5
0.740
MIC-UNK-7f86385f-3
0.714
PET-UNK-5d7c542f-1
0.690
ALP-POS-6f6ae286-3
0.690
EDG-MED-10fcb19e-2
0.689
ALP-POS-93b3621f-4
0.670
PET-UNK-5d7c542f-2
0.660
EDG-MED-10fcb19e-3
0.657
MAT-POS-96f51285-2
0.650
EDJ-MED-611d11e7-1
0.650
EDG-MED-0e5afe9d-3
0.634
PET-UNK-29afea89-2
0.634
EDJ-MED-d08626de-2
0.634
EDJ-MED-d08626de-1
0.634
PET-UNK-a7639856-2
0.632
ALF-EVA-82cf4849-8
0.617
EDJ-MED-611d11e7-4
0.612
MAT-POS-ec6d90b7-4
0.612
MAT-POS-a5ef2d74-2
0.612
PET-UNK-f4e47ebd-19
0.610
PET-UNK-b38839dc-19
0.604
PET-UNK-b38839dc-20
0.604
EDG-MED-10fcb19e-4
0.598
PET-UNK-ee8352fa-2
0.598
PET-UNK-ee8352fa-3
0.598
EDJ-MED-611d11e7-10
0.596
PET-UNK-f4e47ebd-17
0.596
MAT-POS-a5ef2d74-3
0.596
EDJ-MED-93390d0c-3
0.593
PET-UNK-a7639856-3
0.589
EDG-MED-10fcb19e-1
0.582
PET-UNK-a7639856-1
0.582
MAT-POS-24589f88-1
0.579
PET-UNK-ee8352fa-1
0.579
EDJ-MED-611d11e7-7
0.579
MAT-POS-96f51285-1
0.579
PET-UNK-b38839dc-18
0.577
MAR-UCB-fd2e172f-41
0.577
PET-UNK-f4e47ebd-18
0.574
ALP-POS-93b3621f-3
0.564
ALF-EVA-82cf4849-13
0.562
PET-UNK-0df12184-2
0.562
MAR-UCB-fd2e172f-31
0.561
PET-UNK-0df12184-5
0.557
MAR-UCB-fd2e172f-24
0.557
ALF-EVA-82cf4849-11
0.554
ALP-POS-5de921e7-1
0.553
ALF-EVA-82cf4849-12
0.553
PET-UNK-0df12184-1
0.551
MAR-UCB-fd2e172f-13
0.545
EDG-MED-10fcb19e-5
0.544
PET-UNK-c761fc18-5
0.542
MAR-UCB-fd2e172f-25
0.542
PET-UNK-0df12184-4
0.542
MAR-UCB-fd2e172f-28
0.541
PET-UNK-0df12184-3
0.537
PET-UNK-bcc8fd08-3
0.536
ALF-EVA-82cf4849-4
0.532
JOH-UNI-6e27fddc-1
0.532
MAR-UCB-fd2e172f-20
0.532
PET-UNK-c761fc18-1
0.532
MAR-UCB-fd2e172f-43
0.532
PET-UNK-03fd2068-8
0.532
JOH-UNI-99d163e5-6
0.527
MIC-UNK-9dc9fcd1-4
0.519
EDJ-MED-211392e3-2
0.518
MAR-UCB-fd2e172f-22
0.514
MAR-UCB-fd2e172f-21
0.509
MAR-UCB-fd2e172f-27
0.509
PET-UNK-824b5c6a-1
0.509
MAR-UCB-fd2e172f-14
0.505
PET-UNK-824b5c6a-3
0.504
PET-UNK-3bb57da2-1
0.504
EDG-MED-4c68219f-16
0.500
MAR-UCB-6ab2ec87-3
0.500
ALP-POS-e6e0c683-2
0.500
MAR-UCB-fd2e172f-35
0.500
EDJ-MED-ee742daa-1
0.500
JOH-UNI-99d163e5-2
0.500
PET-UNK-3bb57da2-2
0.496
PET-UNK-3bb57da2-3
0.496
MAR-UCB-fd2e172f-2
0.495
ALP-POS-e6e0c683-1
0.495
PET-UNK-0cc03aae-3
0.492
PET-UNK-4880b143-1
0.492
MIC-UNK-5d22d78d-2
0.492
PET-UNK-d9de6a0b-1
0.492
EDJ-MED-93390d0c-4
0.491
PET-UNK-81b485b5-20
0.491
MAR-UCB-fd2e172f-18
0.491
PET-UNK-81b485b5-6
0.491
MAR-UCB-fd2e172f-34
0.491
MAR-UCB-fd2e172f-29
0.491
MAR-UCB-fd2e172f-36
0.491
ED_-GRI-5b13fbe2-68
0.487
PET-UNK-6e612674-7
0.487