Molecular Properties | |
SMILES: | COc1cc2cncc(NC(=O)[C@]3(OC)CN(S(C)(=O)=O)Cc4ccc(Cl)cc43)c2cn1 |
MW: | 476.09 |
Fraction sp3: | 0.29 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 110.72 |
cLogP: | 2.55 |
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-f4e47ebd-26
0.768
PET-UNK-f4e47ebd-31
0.742
PET-UNK-03fd2068-9
0.722
PET-UNK-f4e47ebd-25
0.716
PET-UNK-b38839dc-22
0.714
PET-UNK-b38839dc-23
0.714
PET-UNK-9bf1291a-1
0.705
ALP-POS-5290f14d-1
0.705
MIC-UNK-ea4eb352-2
0.705
PET-UNK-f4e47ebd-24
0.698
PET-UNK-c65ea24c-1
0.697
EDJ-MED-841e0cf0-3
0.691
EDJ-MED-670ad2ee-3
0.691
EDJ-MED-923a35c2-5
0.691
PET-UNK-c65ea24c-6
0.688
EDJ-MED-923a35c2-1
0.677
FRA-DIA-6238d354-1
0.677
PET-UNK-c65ea24c-2
0.673
PET-UNK-c65ea24c-3
0.653
PET-UNK-b38839dc-21
0.640
PET-UNK-b566c0b0-4
0.636
PET-UNK-c65ea24c-4
0.634
PET-UNK-c65ea24c-5
0.630
PET-UNK-c761fc18-6
0.630
PET-UNK-c761fc18-2
0.618
PET-UNK-f4e47ebd-12
0.592
PET-UNK-b78139fa-12
0.590
PET-UNK-b566c0b0-9
0.583
PET-UNK-b38839dc-25
0.583
PET-UNK-b38839dc-26
0.578
PET-UNK-f4e47ebd-19
0.573
PET-UNK-f4e47ebd-30
0.569
PET-UNK-bcc8fd08-6
0.569
EDJ-MED-cf877e1d-2
0.566
PET-UNK-c65ea24c-12
0.566
PET-UNK-88d26eaf-1
0.566
PET-UNK-c65ea24c-7
0.564
PET-UNK-b566c0b0-8
0.556
PET-UNK-ad758083-1
0.556
PET-UNK-6da3dcd8-18
0.552
PET-UNK-03fd2068-11
0.550
PET-UNK-c65ea24c-8
0.550
PET-UNK-757f8bc8-3
0.550
PET-UNK-4b4f2bb7-3
0.547
PET-UNK-bcc8fd08-4
0.546
PET-UNK-757f8bc8-4
0.545
PET-UNK-6da3dcd8-15
0.543
PET-UNK-bcc8fd08-5
0.541
PET-UNK-0d6841fa-1
0.536
PET-UNK-6da3dcd8-8
0.535
EDJ-MED-b1cef252-2
0.535
MAT-POS-89bd6af1-2
0.535
MAT-POS-83a7b0a0-2
0.535
EDJ-MED-841e0cf0-2
0.532
PET-UNK-03fd2068-10
0.532
EDJ-MED-670ad2ee-2
0.532
PET-UNK-f4e47ebd-29
0.532
MIC-UNK-ea4eb352-10
0.532
PET-UNK-757f8bc8-2
0.531
MIC-UNK-ea4eb352-6
0.528
EDJ-MED-670ad2ee-1
0.528
EDJ-MED-841e0cf0-1
0.528
PET-UNK-757f8bc8-1
0.526
PET-UNK-c65ea24c-9
0.523
PET-UNK-6da3dcd8-5
0.522
PET-UNK-f4e47ebd-28
0.518
PET-UNK-6da3dcd8-12
0.514
PET-UNK-81b485b5-14
0.514
PET-UNK-81b485b5-28
0.514
PET-UNK-b38839dc-24
0.514
PET-UNK-c65ea24c-11
0.514
PET-UNK-c65ea24c-13
0.509
PET-UNK-c65ea24c-10
0.509
PET-UNK-9bf1291a-5
0.505
EDJ-MED-923a35c2-2
0.504
EDJ-MED-e9a22d5d-2
0.500
PET-UNK-f4e47ebd-16
0.500
PET-UNK-9bf1291a-3
0.500
PET-UNK-c65ea24c-18
0.495
PET-UNK-9bf1291a-4
0.491
PET-UNK-f4e47ebd-22
0.491
PET-UNK-9bf1291a-2
0.491
PET-UNK-6da3dcd8-2
0.491
PET-UNK-c65ea24c-14
0.486
EDJ-MED-b1cef252-1
0.486
MAT-POS-89bd6af1-4
0.486
MAT-POS-83a7b0a0-1
0.486
PET-UNK-6da3dcd8-11
0.478
PET-UNK-b566c0b0-3
0.477
PET-UNK-ad758083-2
0.470
PET-UNK-c65ea24c-15
0.468
PET-UNK-9b23ef84-12
0.466
PET-UNK-9b23ef84-8
0.466
PET-UNK-c65ea24c-17
0.459
PET-UNK-6da3dcd8-1
0.459
PET-UNK-1e13ef09-4
0.455
PET-UNK-c65ea24c-16
0.455
PET-UNK-9b23ef84-4
0.453
EDJ-MED-670ad2ee-4
0.450
EDJ-MED-841e0cf0-4
0.450