Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3ccccc23)CNc2cc(Cl)c(Cl)cc21 |
MW: | 371.06 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
MAT-POS-c74bc7b3-1
0.728
MAT-POS-c74bc7b3-2
0.728
EDJ-MED-2f867453-1
0.695
EDJ-MED-4f704dc9-1
0.625
MIC-UNK-ea4eb352-7
0.625
MAT-POS-22e8b45a-2
0.589
RAL-THA-176e263b-4
0.589
EDJ-MED-9e38fd34-6
0.575
EDJ-MED-9e38fd34-4
0.575
EDJ-MED-9e38fd34-5
0.575
BEN-DND-a02b439d-13
0.548
RAL-THA-176e263b-3
0.538
MAT-POS-806462de-2
0.538
MAT-POS-806462de-1
0.538
ALP-POS-1cbc2fae-1
0.538
EDJ-MED-4f704dc9-2
0.531
MAT-POS-64942dd0-4
0.526
ALP-POS-fe871b40-12
0.515
NIR-THE-3fc2bec4-1
0.515
MIC-UNK-ea4eb352-11
0.515
EDJ-MED-841e0cf0-1
0.495
EDJ-MED-670ad2ee-1
0.495
MIC-UNK-ea4eb352-6
0.495
BEN-DND-a02b439d-12
0.495
EDJ-MED-37aac4bd-1
0.490
MAT-POS-83f73d0a-3
0.490
MAT-POS-78e1d523-3
0.490
EDJ-MED-d08626de-3
0.490
MAT-POS-78e1d523-4
0.490
EDJ-MED-d08626de-4
0.490
EDJ-MED-d08626de-5
0.490
MIC-UNK-ea4eb352-8
0.490
DAR-DIA-6a508060-10
0.489
EDJ-MED-e4b030d8-13
0.489
BEN-DND-a7517465-4
0.489
MAT-POS-8e4737f4-1
0.489
MIC-UNK-ea4eb352-5
0.485
MAT-POS-2e8b2191-5
0.484
MAT-POS-83f73d0a-4
0.480
MAT-POS-d8472c4f-3
0.480
JOH-UNI-e398da21-1
0.480
MIC-UNK-ea4eb352-3
0.480
EDJ-MED-70ab3faf-1
0.479
MAT-POS-2e8b2191-4
0.479
PET-UNK-1b92fa34-7
0.475
ALP-POS-f1807566-3
0.475
MAT-POS-22e8b45a-3
0.475
RAL-THA-176e263b-1
0.475
LUO-POS-433ce175-1
0.474
EDJ-MED-9e38fd34-2
0.473
EDJ-MED-9e38fd34-1
0.473
EDJ-MED-9e38fd34-3
0.473
MAT-POS-23a8a11a-1
0.471
VLA-UNK-a5257d84-1
0.469
PET-UNK-022eab87-2
0.469
VLA-UNK-8e76d113-4
0.466
EDJ-MED-37aac4bd-2
0.465
MAT-POS-932d1078-5
0.465
MAT-POS-932d1078-4
0.465
MAT-UNK-28cf4d29-1
0.465
ALP-POS-e266d783-2
0.465
DAR-DIA-ecdbc7dd-15
0.465
MAT-POS-89bd6af1-3
0.465
MAT-POS-c7771779-2
0.465
MAT-POS-89e65850-1
0.465
PET-UNK-1abb40f2-1
0.465
PET-UNK-1abb40f2-3
0.465
MIC-UNK-ea4eb352-12
0.465
PET-UNK-407a74a5-8
0.464
MAT-POS-fb82b63d-2
0.463
ALF-EVA-b701bd13-4
0.462
PET-UNK-757f8bc8-8
0.462
PET-UNK-9b23ef84-1
0.461
MAT-POS-fce787c2-3
0.460
DAR-DIA-0d514e7d-30
0.458
MAT-POS-c7771779-1
0.458
PET-UNK-757f8bc8-5
0.458
EDJ-MED-670ad2ee-2
0.457
EDJ-MED-841e0cf0-2
0.457
PET-UNK-5ad1c31a-5
0.457
PET-UNK-5ad1c31a-11
0.457
MIC-UNK-ea4eb352-10
0.457
MAT-POS-993cdc78-1
0.455
MAT-POS-993cdc78-2
0.455
JUL-TUD-06b2044f-83
0.455
ALP-POS-fe871b40-11
0.455
VLA-UNK-8e76d113-3
0.453
PET-UNK-757f8bc8-7
0.453
MAT-POS-e119ab4f-5
0.452
MIK-ENA-f5fe7855-1
0.452
MIK-ENA-d22671f7-1
0.452
LUO-POS-868e8996-1
0.452
MIK-ENA-e76e31f3-1
0.452
LUO-POS-868e8996-2
0.452
ALP-POS-fe871b40-8
0.450
ALP-POS-1cbc2fae-2
0.450
MAT-POS-78e1d523-5
0.448
MAT-POS-f9802937-8
0.448
MAT-POS-f9802937-9
0.448
ALP-UNI-3735e77e-4
0.448