Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3occc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 371.07 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 93.46 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b38839dc-27
1.000
ALP-POS-f1807566-3
0.656
PET-UNK-f9b7ae87-3
0.656
PET-UNK-fe31e24a-3
0.646
PET-UNK-f9b7ae87-5
0.635
PET-UNK-fe31e24a-4
0.629
PET-UNK-f9b7ae87-8
0.622
PET-UNK-b38839dc-29
0.622
PET-UNK-b38839dc-28
0.622
PET-UNK-f9b7ae87-6
0.622
PET-UNK-f9b7ae87-9
0.616
PET-UNK-f9b7ae87-2
0.611
PET-UNK-f9b7ae87-7
0.610
PET-UNK-e9bc7c59-7
0.592
PET-UNK-e9bc7c59-8
0.587
PET-UNK-f9b7ae87-1
0.586
MAR-UCB-fd2e172f-41
0.573
PET-UNK-b38839dc-18
0.573
PET-UNK-e9bc7c59-9
0.570
PET-UNK-b38839dc-30
0.556
PET-UNK-81b485b5-19
0.550
PET-UNK-81b485b5-5
0.550
PET-UNK-b38839dc-21
0.534
PET-UNK-b38839dc-24
0.514
PET-UNK-ad758083-3
0.505
PET-UNK-b38839dc-12
0.485
PET-UNK-7279c968-4
0.485
PET-UNK-0d6841fa-3
0.473
EDJ-MED-827e7cb4-6
0.416
MAT-POS-edabd372-2
0.414
MAT-POS-22e8b45a-3
0.413
RAL-THA-176e263b-1
0.413
PET-UNK-0df12184-2
0.411
MAT-POS-22e8b45a-2
0.411
RAL-THA-176e263b-4
0.411
PET-UNK-fe31e24a-7
0.411
PET-UNK-407a74a5-18
0.404
JOH-UNI-e398da21-1
0.404
PET-UNK-fe31e24a-8
0.404
PET-UNK-407a74a5-8
0.402
MAR-UCB-fd2e172f-13
0.402
PET-UNK-ab76d8f6-3
0.400
PET-UNK-407a74a5-3
0.400
PET-UNK-407a74a5-13
0.398
PET-UNK-6e612674-10
0.398
PET-UNK-6e612674-2
0.398
PET-UNK-f360ae44-14
0.397
PET-UNK-f360ae44-6
0.397
PET-UNK-b38839dc-3
0.396
EDJ-MED-015fb6b4-1
0.393
PET-UNK-b78139fa-18
0.393
PET-UNK-7f7e354d-7
0.392
PET-UNK-b38839dc-6
0.391
PET-UNK-1abb40f2-1
0.391
PET-UNK-1abb40f2-3
0.391
PET-UNK-6e612674-1
0.389
PET-UNK-6e612674-9
0.389
PET-UNK-b78139fa-17
0.389
EDJ-MED-ce467fd5-3
0.388
MAR-UCB-fd2e172f-31
0.387
PET-UNK-c65ea24c-15
0.387
PET-UNK-f360ae44-7
0.385
PET-UNK-f360ae44-15
0.385
PET-UNK-e9bc7c59-10
0.383
PET-UNK-c65ea24c-3
0.381
PET-UNK-b38839dc-15
0.380
MAT-POS-d8472c4f-3
0.378
MAT-POS-c7771779-2
0.378
MAT-POS-89e65850-1
0.378
PET-UNK-f4e47ebd-17
0.378
EDJ-MED-611d11e7-10
0.378
MAT-POS-a5ef2d74-3
0.378
MIC-UNK-ea4eb352-3
0.378
PET-UNK-b566c0b0-5
0.378
PET-UNK-b38839dc-9
0.377
PET-UNK-b566c0b0-6
0.375
PET-UNK-f360ae44-9
0.374
PET-UNK-f360ae44-1
0.374
PET-UNK-4d432d33-3
0.373
PET-UNK-4d432d33-4
0.373
PET-UNK-4d432d33-7
0.373
PET-UNK-4d432d33-8
0.373
MIC-UNK-e8d6fb58-1
0.373
PET-UNK-e9bc7c59-11
0.372
PET-UNK-f360ae44-3
0.371
PET-UNK-f360ae44-4
0.371
PET-UNK-f360ae44-11
0.371
PET-UNK-f360ae44-12
0.371
PET-UNK-6e612674-3
0.371
PET-UNK-6e612674-11
0.371
EDG-MED-10fcb19e-5
0.370
PET-UNK-f360ae44-2
0.368
PET-UNK-f360ae44-10
0.368
PET-UNK-c65ea24c-9
0.368
PET-UNK-022eab87-2
0.367
MAR-UCB-6ab2ec87-3
0.367
PET-UNK-b78139fa-14
0.366
PET-UNK-6e612674-14
0.366
PET-UNK-6e612674-6
0.366
MAT-POS-96f51285-2
0.365