Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 416.06 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-c761fc18-6
PET-UNK-c761fc18-5
PET-UNK-c761fc18-8
PET-UNK-c761fc18-4
PET-UNK-c761fc18-2
PET-UNK-c761fc18-1
PET-UNK-c761fc18-7
PET-UNK-c761fc18-3
PET-UNK-b566c0b0-7
PET-UNK-b566c0b0-6
PET-UNK-b566c0b0-3
PET-UNK-b566c0b0-2
PET-UNK-b566c0b0-9
PET-UNK-b566c0b0-8
PET-UNK-b566c0b0-5
PET-UNK-b566c0b0-4
PET-UNK-b566c0b0-1
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-5
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-3
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-1
PET-UNK-0d6841fa-7
PET-UNK-1b92fa34-6
0.779
PET-UNK-0d6841fa-7
0.767
PET-UNK-b566c0b0-5
0.747
PET-UNK-b566c0b0-6
0.739
PET-UNK-1b92fa34-7
0.733
PET-UNK-b566c0b0-1
0.733
PET-UNK-0d6841fa-6
0.731
PET-UNK-b566c0b0-2
0.717
PET-UNK-329a9ce9-5
0.695
PET-UNK-b566c0b0-3
0.688
PET-UNK-329a9ce9-6
0.688
PET-UNK-b566c0b0-4
0.685
PET-UNK-022eab87-2
0.663
PET-UNK-407a74a5-7
0.656
PET-UNK-329a9ce9-7
0.653
PET-UNK-c0891748-3
0.645
PET-UNK-c0891748-9
0.645
PET-UNK-c761fc18-8
0.628
PET-UNK-329a9ce9-8
0.627
EDG-MED-0e5afe9d-3
0.624
EDJ-MED-d08626de-1
0.624
PET-UNK-29afea89-2
0.624
EDJ-MED-d08626de-2
0.624
PET-UNK-407a74a5-2
0.624
PET-UNK-9bf1291a-3
0.617
PET-UNK-c761fc18-4
0.615
PET-UNK-9bf1291a-1
0.615
MIC-UNK-ea4eb352-2
0.615
ALP-POS-5290f14d-1
0.615
MAR-UCB-6ab2ec87-3
0.609
EDJ-MED-b1cef252-1
0.598
MAT-POS-83a7b0a0-1
0.598
MAT-POS-89bd6af1-4
0.598
MIC-UNK-ea4eb352-4
0.596
PET-UNK-1b92fa34-8
0.592
PET-UNK-88d26eaf-1
0.590
EDJ-MED-cf877e1d-2
0.590
PET-UNK-9bf1291a-5
0.586
PET-UNK-1abb40f2-1
0.583
PET-UNK-1abb40f2-3
0.583
EDJ-MED-211392e3-1
0.577
MAT-POS-f9802937-1
0.577
MIC-UNK-ea4eb352-1
0.577
PET-UNK-c0891748-5
0.577
PET-UNK-c0891748-11
0.577
PET-UNK-757f8bc8-3
0.573
PET-UNK-81b485b5-1
0.571
PET-UNK-81b485b5-15
0.571
PET-UNK-1abb40f2-2
0.571
PET-UNK-1abb40f2-4
0.571
PET-UNK-757f8bc8-4
0.567
PET-UNK-ad758083-1
0.563
ALP-POS-f1807566-3
0.561
PET-UNK-0d6841fa-1
0.558
PET-UNK-6da3dcd8-5
0.556
PET-UNK-9b23ef84-4
0.552
PET-UNK-9b23ef84-8
0.552
PET-UNK-9b23ef84-12
0.552
PET-UNK-757f8bc8-2
0.551
MAT-POS-c7771779-2
0.551
MAT-POS-89e65850-2
0.551
MAT-POS-d8472c4f-3
0.551
MIC-UNK-ea4eb352-3
0.551
MAT-POS-89e65850-1
0.551
LUO-POS-433ce175-1
0.547
PET-UNK-757f8bc8-1
0.546
PET-UNK-ad758083-2
0.542
MAT-POS-83a7b0a0-2
0.541
EDJ-MED-b1cef252-2
0.541
PET-UNK-6da3dcd8-8
0.541
MAT-POS-89bd6af1-2
0.541
EDJ-MED-37aac4bd-5
0.541
PET-UNK-c0891748-1
0.541
PET-UNK-c0891748-7
0.541
ALP-POS-fe871b40-7
0.541
PET-UNK-bcc8fd08-4
0.538
PET-UNK-5ad1c31a-3
0.538
PET-UNK-5ad1c31a-9
0.538
EDJ-MED-e9a22d5d-2
0.533
PET-UNK-0d6841fa-2
0.532
ALP-POS-fe871b40-3
0.529
MIC-UNK-54748b58-2
0.528
PET-UNK-5ad1c31a-4
0.523
PET-UNK-5ad1c31a-10
0.523
ALP-POS-fe871b40-8
0.520
BEN-DND-a02b439d-12
0.520
MIC-UNK-ea4eb352-12
0.520
PET-UNK-824b5c6a-1
0.520
PET-UNK-10c83c8b-1
0.520
PET-UNK-3bb57da2-3
0.519
PET-UNK-ad758083-5
0.519
PET-UNK-d9de6a0b-2
0.519
EDJ-MED-37aac4bd-1
0.515
MIC-UNK-ea4eb352-8
0.515
MAT-POS-78e1d523-3
0.515
EDJ-MED-d08626de-3
0.515
MAT-POS-78e1d523-4
0.515
EDJ-MED-d08626de-4
0.515
EDJ-MED-d08626de-5
0.515
PET-UNK-824b5c6a-3
0.515