Molecular Properties | |
SMILES: | COC1(C(=O)Nc2cncc3ccccc23)CNC(=O)c2ccc(Cl)cc21 |
MW: | 381.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 80.32 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b38839dc-28
PET-UNK-b38839dc-26
PET-UNK-b38839dc-25
PET-UNK-b38839dc-24
PET-UNK-b38839dc-23
PET-UNK-b38839dc-22
PET-UNK-b38839dc-21
PET-UNK-b38839dc-20
PET-UNK-b38839dc-17
PET-UNK-b38839dc-16
PET-UNK-b38839dc-14
PET-UNK-b38839dc-12
PET-UNK-b38839dc-11
PET-UNK-b38839dc-10
PET-UNK-b38839dc-7
PET-UNK-b38839dc-1
PET-UNK-b38839dc-30
PET-UNK-b38839dc-15
PET-UNK-b38839dc-9
PET-UNK-b38839dc-8
PET-UNK-b38839dc-6
PET-UNK-b38839dc-4
PET-UNK-b38839dc-3
PET-UNK-b38839dc-2
PET-UNK-b38839dc-29
PET-UNK-b38839dc-27
PET-UNK-b38839dc-19
PET-UNK-b38839dc-5
PET-UNK-b38839dc-18
PET-UNK-b38839dc-13
PET-UNK-ad758083-5
PET-UNK-ad758083-4
PET-UNK-ad758083-2
PET-UNK-ad758083-1
PET-UNK-ad758083-3
PET-UNK-0d6841fa-7
PET-UNK-0d6841fa-6
PET-UNK-0d6841fa-1
PET-UNK-0d6841fa-4
PET-UNK-0d6841fa-2
PET-UNK-0d6841fa-5
PET-UNK-0d6841fa-3
PET-UNK-7955f415-4
PET-UNK-7955f415-3
PET-UNK-7955f415-2
PET-UNK-7955f415-1
PET-UNK-fe71d26d-3
PET-UNK-fe71d26d-2
PET-UNK-fe71d26d-4
PET-UNK-fe71d26d-1
PET-UNK-ad758083-3
0.769
PET-UNK-f9b7ae87-5
0.744
PET-UNK-fe31e24a-3
0.736
PET-UNK-fe31e24a-4
0.736
PET-UNK-0d6841fa-3
0.719
PET-UNK-b38839dc-28
0.710
PET-UNK-f9b7ae87-8
0.710
PET-UNK-f9b7ae87-6
0.691
PET-UNK-b38839dc-29
0.691
PET-UNK-e9bc7c59-7
0.691
PET-UNK-f9b7ae87-9
0.684
PET-UNK-f9b7ae87-7
0.677
RAL-THA-176e263b-4
0.659
MAT-POS-22e8b45a-2
0.659
PET-UNK-f9b7ae87-3
0.656
PET-UNK-b38839dc-27
0.656
PET-UNK-f9b7ae87-4
0.656
PET-UNK-e9bc7c59-8
0.650
PET-UNK-407a74a5-8
0.648
PET-UNK-f9b7ae87-2
0.645
JOH-UNI-e398da21-1
0.645
RAL-THA-176e263b-1
0.638
MAT-POS-22e8b45a-3
0.638
PET-UNK-407a74a5-3
0.638
PET-UNK-e9bc7c59-9
0.631
PET-UNK-f9b7ae87-1
0.619
PET-UNK-1abb40f2-3
0.611
PET-UNK-1abb40f2-1
0.611
MIC-UNK-e8d6fb58-1
0.606
PET-UNK-f360ae44-7
0.594
PET-UNK-f360ae44-15
0.594
MAT-POS-89e65850-1
0.594
MAT-POS-c7771779-2
0.594
MAT-POS-d8472c4f-3
0.594
MIC-UNK-ea4eb352-3
0.594
PET-UNK-4d432d33-4
0.588
PET-UNK-4d432d33-8
0.588
PET-UNK-4d432d33-3
0.588
PET-UNK-4d432d33-7
0.588
PET-UNK-022eab87-2
0.585
EDJ-MED-015fb6b4-1
0.583
MIC-UNK-ea4eb352-4
0.573
MAR-UCB-6ab2ec87-3
0.568
PET-UNK-f360ae44-8
0.565
PET-UNK-f360ae44-14
0.565
PET-UNK-f360ae44-16
0.565
PET-UNK-f360ae44-6
0.565
PET-UNK-1b92fa34-5
0.561
PET-UNK-f360ae44-5
0.560
PET-UNK-f360ae44-13
0.560
PET-UNK-c0891748-5
0.556
PET-UNK-c0891748-11
0.556
MAT-POS-f9802937-1
0.556
PET-UNK-f360ae44-2
0.555
PET-UNK-f360ae44-10
0.555
PET-UNK-ad758083-4
0.552
EDJ-MED-d08626de-2
0.551
PET-UNK-29afea89-2
0.551
EDG-MED-0e5afe9d-3
0.551
EDJ-MED-d08626de-1
0.551
BEN-DND-a02b439d-13
0.551
PET-UNK-f360ae44-1
0.550
PET-UNK-f360ae44-9
0.550
PET-UNK-1abb40f2-2
0.550
PET-UNK-1abb40f2-4
0.550
MAT-POS-89e65850-2
0.545
PET-UNK-f360ae44-3
0.545
PET-UNK-f360ae44-11
0.545
PET-UNK-f360ae44-12
0.545
PET-UNK-9bf1291a-3
0.545
PET-UNK-f360ae44-4
0.545
PET-UNK-c0891748-9
0.540
PET-UNK-c0891748-3
0.540
MIC-UNK-ea4eb352-1
0.540
EDJ-MED-211392e3-1
0.540
NIR-THE-3fc2bec4-1
0.535
PET-UNK-81b485b5-15
0.535
ALP-POS-fe871b40-12
0.535
MIC-UNK-ea4eb352-11
0.535
PET-UNK-81b485b5-1
0.535
ALP-POS-fe871b40-8
0.530
MAT-POS-89bd6af1-4
0.529
PET-UNK-9bf1291a-1
0.529
EDJ-MED-b1cef252-1
0.529
MIC-UNK-ea4eb352-2
0.529
ALP-POS-5290f14d-1
0.529
MAT-POS-83a7b0a0-1
0.529
ALP-POS-fe871b40-4
0.529
MIC-UNK-ea4eb352-7
0.525
EDJ-MED-4f704dc9-1
0.525
PET-UNK-0d6841fa-4
0.523
MAT-POS-2e8b2191-5
0.520
PET-UNK-c0891748-1
0.520
ALP-POS-fe871b40-7
0.520
EDJ-MED-37aac4bd-5
0.520
PET-UNK-c0891748-7
0.520
PET-UNK-9bf1291a-5
0.519
EDJ-MED-2f867453-1
0.515
EDJ-MED-9e38fd34-2
0.510
EDJ-MED-9e38fd34-1
0.510