Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CCNc2ccc(Cl)cc21 |
MW: | 367.11 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 63.25 |
cLogP: | 4.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-3
1.000
MIC-UNK-ea4eb352-11
0.730
NIR-THE-3fc2bec4-1
0.730
ALP-POS-fe871b40-12
0.730
MIC-UNK-ea4eb352-7
0.724
EDJ-MED-4f704dc9-1
0.724
MAT-POS-c7771779-2
0.652
ALP-POS-fe871b40-8
0.652
MAT-POS-89e65850-1
0.652
PET-UNK-c761fc18-7
0.634
EDG-MED-0e5afe9d-3
0.624
EDJ-MED-d08626de-2
0.624
PET-UNK-29afea89-2
0.624
EDJ-MED-d08626de-1
0.624
PET-UNK-c761fc18-3
0.621
DAR-DIA-ecdbc7dd-15
0.617
MIC-UNK-ea4eb352-4
0.613
ALP-POS-fe871b40-4
0.612
VLA-UNK-8e76d113-4
0.596
MIC-UNK-ea4eb352-1
0.594
EDJ-MED-211392e3-1
0.594
ALP-POS-f1807566-3
0.594
DAR-DIA-ecdbc7dd-14
0.592
MAR-UCB-6ab2ec87-3
0.591
PET-UNK-c0891748-7
0.589
EDJ-MED-37aac4bd-5
0.589
PET-UNK-c0891748-1
0.589
ALP-POS-fe871b40-7
0.589
PET-UNK-81b485b5-1
0.588
PET-UNK-81b485b5-15
0.588
EDJ-MED-2f867453-1
0.587
DAR-DIA-ecdbc7dd-7
0.577
PET-UNK-022eab87-2
0.574
DAR-DIA-ecdbc7dd-9
0.574
DAR-DIA-ecdbc7dd-17
0.574
PET-UNK-1abb40f2-1
0.567
PET-UNK-1abb40f2-3
0.567
PET-UNK-9bf1291a-3
0.567
MIC-UNK-ea4eb352-12
0.567
VLA-UNK-8e76d113-3
0.563
DAR-DIA-ecdbc7dd-8
0.563
MAT-POS-78e1d523-3
0.562
EDJ-MED-d08626de-3
0.562
MAT-POS-78e1d523-4
0.562
EDJ-MED-d08626de-4
0.562
EDJ-MED-d08626de-5
0.562
EDJ-MED-37aac4bd-1
0.562
MIC-UNK-ea4eb352-8
0.562
DAR-DIA-ecdbc7dd-10
0.562
DAR-DIA-ecdbc7dd-19
0.562
ALP-POS-fe871b40-3
0.560
PET-UNK-1abb40f2-2
0.556
PET-UNK-1abb40f2-4
0.556
MAT-POS-993cdc78-1
0.556
MAT-POS-993cdc78-2
0.556
ALP-POS-fe871b40-11
0.556
PET-UNK-9bf1291a-5
0.554
DAR-DIA-ecdbc7dd-12
0.552
MAT-POS-89e65850-2
0.551
PET-UNK-1b92fa34-5
0.551
ALP-POS-5290f14d-1
0.550
EDJ-MED-b1cef252-1
0.550
MAT-POS-89bd6af1-4
0.550
MAT-POS-83a7b0a0-1
0.550
PET-UNK-9bf1291a-1
0.550
MIC-UNK-ea4eb352-2
0.550
EDJ-MED-9e38fd34-2
0.548
EDJ-MED-9e38fd34-1
0.548
EDJ-MED-9e38fd34-3
0.548
PET-UNK-c0891748-5
0.545
PET-UNK-c0891748-9
0.545
PET-UNK-c0891748-11
0.545
MAT-POS-f9802937-1
0.545
PET-UNK-c0891748-3
0.545
MAT-POS-932d1078-2
0.535
EDJ-MED-37aac4bd-4
0.535
MAT-POS-932d1078-3
0.535
PET-UNK-4d432d33-4
0.533
PET-UNK-4d432d33-8
0.533
PET-UNK-757f8bc8-1
0.532
MIC-UNK-ea4eb352-9
0.529
PET-UNK-88d26eaf-1
0.529
EDJ-MED-cf877e1d-2
0.529
VLA-UNK-a5257d84-1
0.525
BEN-DND-a02b439d-13
0.525
MIC-UNK-ea4eb352-5
0.525
EDJ-MED-946e547c-1
0.524
PET-UNK-ad758083-3
0.524
PET-UNK-9b23ef84-12
0.523
DAR-DIA-ecdbc7dd-6
0.522
MAT-POS-fb82b63d-2
0.521
PET-UNK-824b5c6a-1
0.520
PET-UNK-3bb57da2-3
0.519
PET-UNK-4d432d33-3
0.519
PET-UNK-4d432d33-7
0.519
MAT-POS-c74bc7b3-1
0.515
MAT-POS-c7771779-1
0.515
MAT-POS-c74bc7b3-2
0.515
MIC-UNK-e8d6fb58-1
0.515
PET-UNK-757f8bc8-3
0.514