Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccncc23)CN(S(C)(=O)=O)Cc2ccc(Cl)cc21 |
MW: | 446.08 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.49 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-14
PET-UNK-f4e47ebd-24
0.778
PET-UNK-9bf1291a-1
0.767
MIC-UNK-ea4eb352-2
0.767
ALP-POS-5290f14d-1
0.767
EDJ-MED-841e0cf0-3
0.750
EDJ-MED-670ad2ee-3
0.750
EDJ-MED-923a35c2-5
0.750
PET-UNK-f4e47ebd-29
0.745
FRA-DIA-6238d354-1
0.734
EDJ-MED-923a35c2-1
0.734
PET-UNK-f4e47ebd-27
0.716
PET-UNK-c65ea24c-6
0.691
PET-UNK-03fd2068-9
0.691
PET-UNK-c65ea24c-1
0.684
PET-UNK-f4e47ebd-26
0.684
PET-UNK-b38839dc-22
0.684
PET-UNK-b38839dc-23
0.684
PET-UNK-c65ea24c-3
0.674
PET-UNK-c65ea24c-2
0.660
PET-UNK-b38839dc-21
0.660
PET-UNK-c761fc18-6
0.649
PET-UNK-c65ea24c-5
0.649
PET-UNK-c761fc18-2
0.636
PET-UNK-c65ea24c-4
0.636
PET-UNK-b566c0b0-6
0.619
PET-UNK-88d26eaf-1
0.614
EDJ-MED-cf877e1d-2
0.614
PET-UNK-b566c0b0-8
0.602
PET-UNK-ad758083-1
0.602
PET-UNK-757f8bc8-3
0.596
PET-UNK-bcc8fd08-4
0.592
PET-UNK-757f8bc8-4
0.590
PET-UNK-bcc8fd08-5
0.587
PET-UNK-0d6841fa-1
0.581
PET-UNK-6da3dcd8-8
0.578
EDJ-MED-b1cef252-2
0.578
MAT-POS-83a7b0a0-2
0.578
MAT-POS-89bd6af1-2
0.578
PET-UNK-b78139fa-17
0.577
EDJ-MED-670ad2ee-2
0.577
PET-UNK-f4e47ebd-28
0.577
PET-UNK-03fd2068-10
0.577
MIC-UNK-ea4eb352-10
0.577
EDJ-MED-841e0cf0-2
0.577
MIC-UNK-ea4eb352-6
0.574
EDJ-MED-841e0cf0-1
0.574
EDJ-MED-670ad2ee-1
0.574
PET-UNK-757f8bc8-2
0.574
PET-UNK-757f8bc8-1
0.569
PET-UNK-c65ea24c-12
0.567
PET-UNK-6da3dcd8-5
0.564
EDJ-MED-611d11e7-10
0.560
PET-UNK-f4e47ebd-17
0.560
MAT-POS-a5ef2d74-3
0.560
PET-UNK-b566c0b0-9
0.556
PET-UNK-b38839dc-25
0.556
PET-UNK-f4e47ebd-9
0.554
PET-UNK-c65ea24c-7
0.550
PET-UNK-b38839dc-26
0.550
EDJ-MED-923a35c2-2
0.546
PET-UNK-9bf1291a-3
0.545
PET-UNK-bcc8fd08-6
0.541
PET-UNK-c65ea24c-9
0.538
PET-UNK-c65ea24c-8
0.537
PET-UNK-9bf1291a-2
0.534
PET-UNK-4b4f2bb7-8
0.534
PET-UNK-9bf1291a-5
0.533
EDJ-MED-b1cef252-1
0.529
MAT-POS-89bd6af1-4
0.529
MAT-POS-83a7b0a0-1
0.529
PET-UNK-b38839dc-24
0.528
PET-UNK-c65ea24c-11
0.528
PET-UNK-6da3dcd8-18
0.526
PET-UNK-f4e47ebd-31
0.523
PET-UNK-03fd2068-11
0.523
PET-UNK-9bf1291a-4
0.519
PET-UNK-6da3dcd8-15
0.517
EDJ-MED-e9a22d5d-2
0.514
PET-UNK-c65ea24c-10
0.509
PET-UNK-ad758083-2
0.509
PET-UNK-6da3dcd8-2
0.505
PET-UNK-9b23ef84-12
0.505
PET-UNK-6da3dcd8-1
0.500
PET-UNK-f4e47ebd-30
0.500
PET-UNK-c65ea24c-13
0.495
PET-UNK-c65ea24c-18
0.495
PET-UNK-9b23ef84-4
0.491
PET-UNK-9b23ef84-8
0.491
EDJ-MED-670ad2ee-4
0.491
EDJ-MED-841e0cf0-4
0.491
PET-UNK-0d6841fa-2
0.487
MIC-UNK-6e9f8a43-1
0.486
PET-UNK-f4e47ebd-20
0.486
JOH-UNI-e398da21-2
0.486
PET-UNK-c65ea24c-15
0.481
PET-UNK-f4e47ebd-13
0.477
PET-UNK-c65ea24c-14
0.472
PET-UNK-c65ea24c-17
0.472
PET-UNK-757f8bc8-7
0.460
PET-UNK-329a9ce9-5
0.460