Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)COc2cc(F)c(Cl)cc21 |
MW: | 372.07 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 3.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-993cdc78-1
0.759
MAT-POS-993cdc78-2
0.759
ALP-POS-fe871b40-11
0.759
MAR-UCB-6ab2ec87-3
0.709
MAT-POS-78e1d523-3
0.620
EDJ-MED-d08626de-3
0.620
MAT-POS-78e1d523-4
0.620
EDJ-MED-d08626de-4
0.620
EDJ-MED-d08626de-5
0.620
EDJ-MED-37aac4bd-1
0.620
MIC-UNK-ea4eb352-11
0.611
ALP-POS-fe871b40-12
0.611
NIR-THE-3fc2bec4-1
0.611
MIC-UNK-ea4eb352-12
0.606
MIC-UNK-ea4eb352-9
0.598
PET-UNK-03fd2068-7
0.594
PET-UNK-1b92fa34-7
0.582
PET-UNK-03fd2068-8
0.582
PET-UNK-9b23ef84-1
0.582
EDJ-MED-d08626de-2
0.579
PET-UNK-29afea89-2
0.579
EDG-MED-0e5afe9d-3
0.579
EDJ-MED-d08626de-1
0.579
PET-UNK-c0891748-5
0.567
PET-UNK-c0891748-11
0.567
PET-UNK-81b485b5-15
0.561
PET-UNK-81b485b5-1
0.561
PET-UNK-f4e47ebd-21
0.561
EDJ-MED-841e0cf0-2
0.559
EDJ-MED-670ad2ee-2
0.559
MIC-UNK-ea4eb352-10
0.559
EDJ-MED-37aac4bd-4
0.557
MAT-POS-932d1078-2
0.557
MAT-POS-932d1078-3
0.557
PET-UNK-f4e47ebd-20
0.556
PET-UNK-c0891748-9
0.551
PET-UNK-c0891748-3
0.551
EDJ-MED-93390d0c-4
0.549
PET-UNK-9b23ef84-9
0.541
EDJ-MED-93390d0c-3
0.539
EDJ-MED-4f704dc9-1
0.536
MIC-UNK-ea4eb352-8
0.536
MIC-UNK-ea4eb352-7
0.536
PET-UNK-022eab87-2
0.531
ALP-POS-fe871b40-7
0.531
EDJ-MED-37aac4bd-5
0.531
MIC-UNK-ea4eb352-5
0.531
PET-UNK-c0891748-1
0.531
PET-UNK-c0891748-7
0.531
PET-UNK-9b23ef84-5
0.527
PET-UNK-9b23ef84-13
0.527
MAT-POS-d8472c4f-3
0.525
MIC-UNK-ea4eb352-3
0.525
MAT-POS-c7771779-2
0.525
MAT-POS-89e65850-1
0.525
PET-UNK-10c83c8b-1
0.525
MIC-UNK-ea4eb352-4
0.520
MIC-UNK-ea4eb352-1
0.520
EDJ-MED-211392e3-1
0.520
MAT-POS-f9802937-1
0.520
BEN-DND-a02b439d-13
0.515
DAR-DIA-e7614d05-2
0.515
ALP-POS-93b3621f-1
0.515
DAR-DIA-e7614d05-3
0.515
PET-UNK-1abb40f2-4
0.515
PET-UNK-1abb40f2-2
0.515
DAR-DIA-e7614d05-1
0.515
PET-UNK-9bf1291a-5
0.515
PET-UNK-1abb40f2-1
0.510
BEN-DND-a02b439d-12
0.510
MAT-POS-89e65850-2
0.510
PET-UNK-1abb40f2-3
0.510
PET-UNK-9bf1291a-3
0.510
PET-UNK-1b92fa34-5
0.510
EDJ-MED-b1cef252-1
0.510
MAT-POS-89bd6af1-4
0.510
PET-UNK-824b5c6a-1
0.510
MAT-POS-83a7b0a0-1
0.510
PET-UNK-3bb57da2-3
0.510
PET-UNK-f4e47ebd-23
0.510
PET-UNK-acd70dee-1
0.509
DAR-DIA-0d514e7d-30
0.505
ALP-POS-f1807566-3
0.505
ALP-POS-fe871b40-3
0.505
EDJ-MED-cf877e1d-2
0.505
PET-UNK-88d26eaf-1
0.505
DAR-DIA-9f765dc6-13
0.505
DAR-DIA-9f765dc6-15
0.505
DAR-DIA-9f765dc6-14
0.505
RAL-THA-58fba2bc-2
0.500
PET-UNK-f4e47ebd-22
0.500
PET-UNK-bcc8fd08-1
0.500
MIC-UNK-ddc6ad53-1
0.500
PET-UNK-757f8bc8-4
0.500
ED_-GRI-5b13fbe2-68
0.500
ED_-GRI-5b13fbe2-40
0.500
ED_-GRI-5b13fbe2-41
0.500
EDG-MED-4c68219f-6
0.500
EDG-MED-4c68219f-12
0.500
PET-UNK-3bb57da2-2
0.495