Molecular Properties | |
SMILES: | CSC1(C(=O)Nc2cncc3ccccc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 397.07 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.09 |
cLogP: | 3.83 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
RAL-THA-176e263b-4
0.685
MAT-POS-22e8b45a-2
0.685
PET-UNK-407a74a5-8
0.674
MAT-POS-22e8b45a-3
0.645
RAL-THA-176e263b-1
0.645
PET-UNK-407a74a5-3
0.645
ALP-POS-f1807566-3
0.645
PET-UNK-ad758083-3
0.600
MIC-UNK-e8d6fb58-1
0.596
PET-UNK-0d6841fa-3
0.577
MIC-UNK-6e9f8a43-2
0.551
MIC-UNK-6e9f8a43-1
0.535
JOH-UNI-e398da21-2
0.535
MAT-POS-22e8b45a-4
0.526
MAT-POS-777f5926-1
0.526
MAT-POS-2e8b2191-5
0.526
MAT-POS-fb82b63d-2
0.521
EDJ-MED-2f867453-1
0.521
EDJ-MED-9e38fd34-2
0.516
EDJ-MED-9e38fd34-1
0.516
EDJ-MED-9e38fd34-3
0.516
MAT-POS-865c3497-2
0.515
MIC-UNK-91acba05-1
0.515
MAT-POS-865c3497-1
0.515
MAT-POS-22e8b45a-1
0.515
ROB-UNI-322e8f70-3
0.515
PET-UNK-407a74a5-4
0.510
MIC-UNK-ea4eb352-3
0.505
MAT-POS-d8472c4f-3
0.505
PET-UNK-407a74a5-6
0.500
ALP-POS-1cbc2fae-1
0.500
MAT-POS-806462de-1
0.500
MAT-POS-806462de-2
0.500
MAT-POS-89e65850-1
0.490
DAR-DIA-ecdbc7dd-15
0.490
PET-UNK-1abb40f2-3
0.490
ALP-POS-1cbc2fae-2
0.490
MAT-POS-c7771779-2
0.490
PET-UNK-407a74a5-18
0.490
PET-UNK-1abb40f2-1
0.490
PET-UNK-407a74a5-5
0.490
DAR-DIA-70d163b2-2
0.490
DAR-DIA-ecdbc7dd-17
0.486
MAT-POS-edabd372-2
0.486
MAT-POS-83f73d0a-3
0.485
DAR-DIA-0d514e7d-30
0.485
LUO-POS-433ce175-1
0.485
VLA-UCB-1dbca3b4-14
0.485
EDJ-MED-e4b030d8-1
0.485
MAT-POS-2905de8c-3
0.485
MAT-POS-c7771779-1
0.485
PET-UNK-6da3dcd8-2
0.480
PET-UNK-022eab87-2
0.480
EDJ-MED-2f867453-2
0.480
MAT-POS-2e8b2191-4
0.475
EDJ-MED-70ab3faf-1
0.475
PET-UNK-407a74a5-7
0.475
LUO-POS-868e8996-5
0.472
MAT-POS-853c0ffa-2
0.472
ALP-POS-e266d783-1
0.472
EDJ-MED-43f8f7d6-5
0.472
LUO-POS-868e8996-6
0.472
PET-UNK-f9b7ae87-5
0.472
MIC-UNK-ea4eb352-1
0.471
DAR-DIA-0d514e7d-27
0.471
EDJ-MED-211392e3-1
0.471
MIC-UNK-ea4eb352-4
0.471
EDJ-MED-e4b030d8-13
0.470
BEN-DND-a7517465-4
0.470
MAT-POS-8e4737f4-1
0.470
DAR-DIA-6a508060-10
0.470
PET-UNK-f360ae44-3
0.470
PET-UNK-f360ae44-11
0.470
DAR-DIA-70d163b2-3
0.469
RAL-THA-a9c31980-7
0.468
PET-UNK-7955f415-2
0.468
PET-UNK-7955f415-4
0.468
PET-UNK-fe31e24a-3
0.467
PET-UNK-fe31e24a-4
0.467
PET-UNK-407a74a5-13
0.467
PET-UNK-1abb40f2-2
0.467
PET-UNK-1abb40f2-4
0.467
NIR-THE-3fc2bec4-1
0.467
ALP-POS-fe871b40-12
0.467
MIC-UNK-ea4eb352-11
0.467
DAR-DIA-0d514e7d-29
0.466
PET-UNK-407a74a5-2
0.466
DAR-DIA-0d514e7d-28
0.466
MAT-POS-f9802937-2
0.466
PET-UNK-f360ae44-2
0.466
PET-UNK-f360ae44-10
0.466
MIC-UNK-91acba05-2
0.465
MAT-POS-e119ab4f-4
0.465
EDJ-MED-eb111c00-1
0.465
MAR-UCB-6ab2ec87-3
0.465
PET-UNK-4d432d33-8
0.464
PET-UNK-4d432d33-3
0.464
PET-UNK-4d432d33-7
0.464
PET-UNK-4d432d33-4
0.464
PET-UNK-7955f415-1
0.464