Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cc(F)c(N(C)C)cc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 442.12 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 3.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-e9bc7c59-9
0.832
PET-UNK-b38839dc-28
0.774
PET-UNK-f9b7ae87-8
0.774
PET-UNK-e9bc7c59-8
0.727
PET-UNK-fe31e24a-4
0.726
PET-UNK-f9b7ae87-7
0.722
PET-UNK-f9b7ae87-5
0.716
PET-UNK-b38839dc-29
0.701
ALP-POS-f1807566-3
0.684
PET-UNK-e9bc7c59-7
0.683
PET-UNK-fe31e24a-3
0.673
PET-UNK-f9b7ae87-6
0.667
PET-UNK-f9b7ae87-3
0.616
PET-UNK-f9b7ae87-4
0.616
PET-UNK-b38839dc-27
0.616
PET-UNK-f9b7ae87-2
0.606
PET-UNK-f9b7ae87-1
0.598
PET-UNK-ee8352fa-2
0.592
PET-UNK-7bb24635-2
0.575
PET-UNK-81b485b5-8
0.566
PET-UNK-81b485b5-22
0.566
PET-UNK-e9bc7c59-12
0.562
PET-UNK-7279c968-9
0.533
PET-UNK-ad758083-3
0.532
PET-UNK-0d6841fa-3
0.500
PET-UNK-329a9ce9-8
0.491
PET-UNK-a7639856-3
0.487
PET-UNK-e9bc7c59-11
0.483
PET-UNK-fe31e24a-8
0.482
PET-UNK-b78139fa-15
0.481
PET-UNK-09a29654-6
0.475
PET-UNK-407a74a5-18
0.472
PET-UNK-407a74a5-13
0.464
PET-UNK-e9bc7c59-10
0.458
PET-UNK-d899bab6-2
0.447
PET-UNK-407a74a5-8
0.444
PET-UNK-b38839dc-19
0.442
PET-UNK-6e612674-1
0.442
PET-UNK-6e612674-9
0.442
RAL-THA-176e263b-4
0.440
MAT-POS-22e8b45a-2
0.440
PET-UNK-e9bc7c59-3
0.440
PET-UNK-fe31e24a-7
0.439
PET-UNK-4b4f2bb7-7
0.434
PET-UNK-b78139fa-14
0.432
JOH-UNI-e398da21-1
0.432
PET-UNK-b78139fa-16
0.431
PET-UNK-a7639856-2
0.431
MAT-POS-edabd372-2
0.430
PET-UNK-ee8352fa-5
0.429
PET-UNK-407a74a5-3
0.429
RAL-THA-176e263b-1
0.429
MAT-POS-22e8b45a-3
0.429
PET-UNK-6e612674-2
0.427
PET-UNK-6e612674-10
0.427
PET-UNK-b38839dc-25
0.425
PET-UNK-329a9ce9-7
0.420
PET-UNK-1abb40f2-1
0.420
PET-UNK-1abb40f2-3
0.420
EDJ-MED-827e7cb4-6
0.419
PET-UNK-b38839dc-13
0.417
PET-UNK-7279c968-8
0.417
PET-UNK-7bb24635-5
0.417
PET-UNK-81b485b5-7
0.414
PET-UNK-81b485b5-21
0.414
PET-UNK-4d432d33-3
0.412
PET-UNK-4d432d33-4
0.412
PET-UNK-4d432d33-7
0.412
PET-UNK-4d432d33-8
0.412
PET-UNK-b38839dc-22
0.412
PET-UNK-f360ae44-7
0.411
PET-UNK-f360ae44-15
0.411
PET-UNK-b78139fa-18
0.409
PET-UNK-5d7c542f-1
0.409
PET-UNK-ee8352fa-1
0.409
ALP-POS-6f6ae286-3
0.409
MAT-POS-ec6d90b7-4
0.407
MAT-POS-89e65850-1
0.407
MAT-POS-c7771779-2
0.407
EDJ-MED-611d11e7-4
0.407
MAT-POS-a5ef2d74-2
0.407
PET-UNK-b78139fa-17
0.405
PET-UNK-b566c0b0-1
0.405
PET-UNK-f360ae44-2
0.405
PET-UNK-f360ae44-10
0.405
PET-UNK-1b92fa34-6
0.404
MIC-UNK-e8d6fb58-1
0.402
PET-UNK-ee8352fa-3
0.402
PET-UNK-09a29654-5
0.402
PET-UNK-6e612674-3
0.398
PET-UNK-6e612674-5
0.398
PET-UNK-6e612674-11
0.398
PET-UNK-6e612674-13
0.398
PET-UNK-7bb24635-3
0.398
PET-UNK-7bb24635-1
0.398
PET-UNK-81b485b5-24
0.397
PET-UNK-e9bc7c59-6
0.397
PET-UNK-81b485b5-10
0.397
EDJ-MED-015fb6b4-1
0.397
PET-UNK-329a9ce9-6
0.397