Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3cnccc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 417.06 |
Fraction sp3: | 0.21 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 98.25 |
cLogP: | 2.69 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-b566c0b0-6
0.759
PET-UNK-1b92fa34-5
0.747
PET-UNK-b566c0b0-1
0.714
PET-UNK-b566c0b0-3
0.707
PET-UNK-1b92fa34-6
0.700
PET-UNK-b566c0b0-4
0.685
PET-UNK-b566c0b0-2
0.663
PET-UNK-b78139fa-18
0.663
PET-UNK-329a9ce9-5
0.643
PET-UNK-329a9ce9-6
0.636
PET-UNK-329a9ce9-7
0.636
PET-UNK-c761fc18-8
0.628
PET-UNK-c761fc18-4
0.615
PET-UNK-329a9ce9-8
0.612
PET-UNK-f4e47ebd-24
0.608
PET-UNK-4b4f2bb7-9
0.577
PET-UNK-0d6841fa-7
0.574
PET-UNK-0d6841fa-6
0.548
PET-UNK-1b92fa34-7
0.545
PET-UNK-1b92fa34-8
0.529
PET-UNK-f4e47ebd-21
0.510
PET-UNK-f4e47ebd-28
0.509
PET-UNK-407a74a5-7
0.490
PET-UNK-b78139fa-17
0.490
PET-UNK-c0891748-3
0.485
PET-UNK-c0891748-9
0.485
PET-UNK-1e13ef09-5
0.480
PET-UNK-022eab87-2
0.480
PET-UNK-407a74a5-17
0.476
JUL-TUD-06b2044f-51
0.463
PET-UNK-b78139fa-14
0.462
PET-UNK-f4e47ebd-17
0.462
EDJ-MED-611d11e7-10
0.462
MAT-POS-a5ef2d74-3
0.462
PET-UNK-f4e47ebd-25
0.458
PET-UNK-b78139fa-11
0.457
PET-UNK-b78139fa-15
0.456
EDJ-MED-d08626de-2
0.452
EDG-MED-0e5afe9d-3
0.452
EDJ-MED-d08626de-1
0.452
PET-UNK-407a74a5-2
0.452
PET-UNK-29afea89-2
0.452
PET-UNK-9bf1291a-1
0.449
ALP-POS-5290f14d-1
0.449
MIC-UNK-ea4eb352-2
0.449
PET-UNK-9bf1291a-3
0.448
PET-UNK-b78139fa-12
0.448
PET-UNK-b78139fa-16
0.447
MIC-UNK-ea4eb352-4
0.442
PET-UNK-5d7c542f-2
0.440
PET-UNK-c65ea24c-1
0.438
MAR-UCB-6ab2ec87-3
0.437
MAT-POS-83a7b0a0-1
0.435
PET-UNK-5d7c542f-1
0.435
ALP-POS-6f6ae286-3
0.435
EDJ-MED-b1cef252-1
0.435
MAT-POS-89bd6af1-4
0.435
EDJ-MED-cf877e1d-2
0.432
PET-UNK-c65ea24c-13
0.432
PET-UNK-88d26eaf-1
0.432
PET-UNK-f4e47ebd-18
0.431
PET-UNK-407a74a5-12
0.431
MAT-POS-f9802937-1
0.430
ALP-POS-f1807566-3
0.430
PET-UNK-757f8bc8-4
0.430
PET-UNK-6e612674-2
0.429
PET-UNK-6e612674-10
0.429
PET-UNK-03fd2068-9
0.429
PET-UNK-ee8352fa-3
0.427
PET-UNK-9bf1291a-5
0.427
PET-UNK-4b4f2bb7-8
0.426
PET-UNK-f4e47ebd-26
0.425
ALP-POS-93b3621f-4
0.423
PET-UNK-c65ea24c-7
0.422
PET-UNK-f4e47ebd-19
0.422
PET-UNK-ee8352fa-1
0.422
EDJ-MED-611d11e7-7
0.422
MAT-POS-96f51285-1
0.422
MAT-POS-24589f88-1
0.422
PET-UNK-757f8bc8-3
0.421
PET-UNK-1abb40f2-3
0.421
EDJ-MED-611d11e7-4
0.421
MAT-POS-a5ef2d74-2
0.421
MAT-POS-d8472c4f-3
0.421
PET-UNK-1abb40f2-1
0.421
PET-UNK-6e612674-6
0.421
PET-UNK-6e612674-14
0.421
MAT-POS-ec6d90b7-4
0.421
MIC-UNK-ea4eb352-3
0.421
PET-UNK-f4e47ebd-27
0.420
PET-UNK-f9b7ae87-5
0.418
PET-UNK-9b23ef84-8
0.417
EDJ-MED-211392e3-1
0.417
MIC-UNK-ea4eb352-1
0.417
PET-UNK-c0891748-5
0.417
PET-UNK-c0891748-11
0.417
EDJ-MED-6bf93aa8-1
0.416
EDG-MED-10fcb19e-2
0.416
ALF-EVA-82cf4849-11
0.416
EDJ-MED-841e0cf0-3
0.414