Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccc(Cl)cc23)CN(CC(=O)NC2COC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 548.07 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 117.7 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
Oxetanes, thietanes
EDJ-MED-b2a1399d-3
0.859
EDJ-MED-dac03e7f-7
0.745
EDJ-MED-dac03e7f-3
0.731
EDJ-MED-dac03e7f-6
0.649
MAT-POS-e119ab4f-5
0.638
LUO-POS-868e8996-1
0.638
MIK-ENA-e76e31f3-1
0.638
MIK-ENA-d22671f7-1
0.638
MIK-ENA-f5fe7855-1
0.638
LUO-POS-868e8996-2
0.638
EDJ-MED-dac03e7f-2
0.637
EDJ-MED-c3ea9889-2
0.629
MAT-POS-c88128cb-8
0.624
LUO-POS-3b937086-1
0.624
EDJ-MED-c3ea9889-1
0.595
LUO-POS-66f38ea0-1
0.582
MAT-POS-c88128cb-5
0.582
PET-UNK-5ad1c31a-6
0.582
PET-UNK-5ad1c31a-12
0.582
EDJ-MED-3bfd841e-1
0.580
MAT-POS-83f73d0a-4
0.579
EDJ-MED-c3ea9889-3
0.570
MAT-POS-c88128cb-9
0.569
PET-UNK-5ad1c31a-5
0.568
PET-UNK-5ad1c31a-11
0.568
EDG-MED-b8f93667-7
0.565
EDG-MED-b8f93667-8
0.565
MAT-POS-c88128cb-4
0.559
MAT-POS-c88128cb-10
0.556
EDJ-MED-dac03e7f-5
0.546
EDJ-MED-dac03e7f-8
0.546
MAT-POS-c88128cb-3
0.544
LUO-POS-e3baa4d7-1
0.544
MAT-POS-c88128cb-6
0.544
EDG-MED-b8f93667-5
0.543
EDG-MED-b8f93667-6
0.543
LUO-POS-c9faae85-1
0.540
EDJ-MED-dac03e7f-1
0.537
EDJ-MED-dac03e7f-4
0.533
MAT-POS-c88128cb-7
0.530
EDJ-MED-c3ea9889-4
0.526
MAT-POS-666635d5-1
0.526
MAT-POS-83f73d0a-3
0.519
EDG-MED-b8f93667-1
0.500
EDG-MED-b8f93667-2
0.492
EDG-MED-b8f93667-3
0.482
EDG-MED-b8f93667-4
0.474
MIC-UNK-54748b58-2
0.467
EDG-MED-9fc99cca-2
0.444
MAT-POS-c88128cb-12
0.440
MAT-POS-c88128cb-11
0.437
EDJ-MED-b2a1399d-2
0.435
EDJ-MED-b2a1399d-1
0.432
EDJ-MED-70ab3faf-1
0.417
PET-UNK-5ad1c31a-3
0.416
PET-UNK-5ad1c31a-4
0.416
PET-UNK-5ad1c31a-9
0.416
PET-UNK-5ad1c31a-10
0.416
EDJ-MED-9537a89a-1
0.415
ALF-EVA-82cf4849-4
0.415
ALP-POS-1cbc2fae-1
0.414
MAT-POS-806462de-1
0.414
MAT-POS-806462de-2
0.414
PET-UNK-1abb40f2-2
0.412
PET-UNK-1abb40f2-4
0.412
MAT-POS-a334828f-3
0.408
ALP-POS-e266d783-2
0.407
MAT-POS-89bd6af1-3
0.407
MAT-UNK-28cf4d29-1
0.407
PET-UNK-6e612674-14
0.407
PET-UNK-6e612674-6
0.407
ALF-EVA-82cf4849-3
0.405
PET-UNK-6e612674-8
0.405
PET-UNK-6e612674-16
0.405
EDJ-MED-670ad2ee-4
0.400
EDJ-MED-841e0cf0-4
0.400
ALF-EVA-82cf4849-12
0.394
PET-UNK-b78139fa-16
0.393
ALP-POS-e266d783-1
0.384
MAT-POS-853c0ffa-2
0.384
LUO-POS-868e8996-6
0.384
EDJ-MED-43f8f7d6-5
0.384
LUO-POS-868e8996-5
0.384
EDJ-MED-c82a5324-2
0.383
RAL-THA-a9c31980-7
0.383
EDJ-MED-c4e42105-1
0.382
MAT-POS-2e8b2191-4
0.381
ALF-EVA-82cf4849-13
0.378
MAT-POS-c88128cb-13
0.377
PET-UNK-4b4f2bb7-6
0.377
PET-UNK-6e612674-5
0.376
PET-UNK-6e612674-13
0.376
EDJ-MED-70ab3faf-2
0.374
PET-UNK-757f8bc8-8
0.373
EDG-MED-ee636701-4
0.371
MAT-POS-c88128cb-14
0.371
EDJ-MED-923a35c2-4
0.371
EDJ-MED-70ab3faf-3
0.370
PET-UNK-6e612674-7
0.370
PET-UNK-6e612674-15
0.370