Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccccc23)CN(c2ncno2)Cc2ccc(Cl)cc21 |
MW: | 435.11 |
Fraction sp3: | 0.18 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 93.38 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-9b23ef84-9
0.782
PET-UNK-9b23ef84-4
0.740
PET-UNK-9b23ef84-12
0.689
PET-UNK-9bf1291a-3
0.663
PET-UNK-9bf1291a-5
0.647
PET-UNK-9bf1291a-1
0.644
MIC-UNK-ea4eb352-2
0.644
ALP-POS-5290f14d-1
0.644
MAT-POS-83a7b0a0-1
0.644
EDJ-MED-b1cef252-1
0.644
MAT-POS-89bd6af1-4
0.644
PET-UNK-757f8bc8-3
0.632
EDJ-MED-cf877e1d-2
0.619
PET-UNK-88d26eaf-1
0.619
PET-UNK-757f8bc8-4
0.611
PET-UNK-757f8bc8-1
0.589
PET-UNK-757f8bc8-2
0.580
PET-UNK-9b23ef84-5
0.579
PET-UNK-6da3dcd8-8
0.570
MAT-POS-83a7b0a0-2
0.570
PET-UNK-6da3dcd8-5
0.570
EDJ-MED-b1cef252-2
0.570
MAT-POS-89bd6af1-2
0.570
PET-UNK-ad758083-1
0.564
MAR-UCB-6ab2ec87-3
0.559
PET-UNK-1abb40f2-4
0.557
PET-UNK-1abb40f2-2
0.557
PET-UNK-bcc8fd08-4
0.555
PET-UNK-1b92fa34-5
0.552
PET-UNK-9b23ef84-13
0.552
PET-UNK-4d432d33-3
0.550
PET-UNK-4d432d33-7
0.550
PET-UNK-ad758083-2
0.544
EDJ-MED-e9a22d5d-2
0.535
PET-UNK-c0891748-3
0.533
PET-UNK-c0891748-5
0.533
PET-UNK-c0891748-9
0.533
PET-UNK-c0891748-11
0.533
PET-UNK-9b23ef84-1
0.532
PET-UNK-0d6841fa-1
0.531
PET-UNK-f360ae44-6
0.530
PET-UNK-f360ae44-14
0.530
PET-UNK-022eab87-2
0.529
EDJ-MED-d08626de-1
0.528
PET-UNK-29afea89-2
0.528
EDG-MED-0e5afe9d-3
0.528
EDJ-MED-d08626de-2
0.528
PET-UNK-9bf1291a-2
0.528
PET-UNK-9bf1291a-4
0.527
PET-UNK-5ad1c31a-4
0.526
PET-UNK-5ad1c31a-10
0.526
PET-UNK-f360ae44-5
0.525
PET-UNK-f360ae44-13
0.525
BEN-DND-a02b439d-12
0.523
PET-UNK-4d432d33-4
0.522
PET-UNK-9b23ef84-11
0.522
PET-UNK-757f8bc8-7
0.522
PET-UNK-4d432d33-8
0.522
PET-UNK-f360ae44-2
0.521
PET-UNK-f360ae44-10
0.521
PET-UNK-0d6841fa-7
0.518
EDJ-MED-015fb6b4-1
0.518
PET-UNK-f360ae44-8
0.517
PET-UNK-f360ae44-1
0.517
PET-UNK-f360ae44-9
0.517
PET-UNK-f360ae44-16
0.517
PET-UNK-c0891748-7
0.514
ALP-POS-fe871b40-7
0.514
EDJ-MED-37aac4bd-5
0.514
PET-UNK-c0891748-1
0.514
EDJ-MED-841e0cf0-3
0.514
EDJ-MED-670ad2ee-3
0.514
EDJ-MED-923a35c2-5
0.514
EDJ-MED-841e0cf0-2
0.513
EDJ-MED-670ad2ee-2
0.513
MIC-UNK-ea4eb352-10
0.513
PET-UNK-5ad1c31a-3
0.513
PET-UNK-5ad1c31a-9
0.513
PET-UNK-757f8bc8-11
0.513
PET-UNK-f360ae44-11
0.513
PET-UNK-f360ae44-3
0.513
MIC-UNK-ea4eb352-3
0.509
MAT-POS-d8472c4f-3
0.509
MAT-POS-89e65850-1
0.509
MAT-POS-c7771779-2
0.509
EDJ-MED-670ad2ee-1
0.509
EDJ-MED-841e0cf0-1
0.509
MIC-UNK-ea4eb352-6
0.509
PET-UNK-0d6841fa-2
0.508
MIC-UNK-ea4eb352-4
0.505
MIC-UNK-ea4eb352-1
0.505
MAT-POS-f9802937-1
0.505
ALP-POS-f1807566-3
0.505
EDJ-MED-211392e3-1
0.505
PET-UNK-f4e47ebd-24
0.505
PET-UNK-c65ea24c-13
0.504
MIC-UNK-54748b58-2
0.504
PET-UNK-f360ae44-7
0.504
PET-UNK-f360ae44-15
0.504
PET-UNK-b566c0b0-8
0.496