Molecular Properties | |
SMILES: | O=C(Cc1cc(Cl)cc(C(=O)NO)c1)Nc1cncc2ccccc12 |
MW: | 355.07 |
Fraction sp3: | 0.06 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 91.32 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydroxamate_warhead
hydroxamic acid
Oxygen-nitrogen single bond
Singel acyclic N-O bonds
acyclic NO not nitro
Nitrosone_not_nitro
ALP-POS-3b848b35-2
RAL-THA-1d44ff04-5
0.819
RAL-THA-1d44ff04-4
0.753
MAT-POS-fce787c2-2
0.725
RAL-THA-2d450e86-14
0.667
RAL-THA-2d450e86-15
0.667
RAL-THA-2d450e86-18
0.662
ALP-POS-3b848b35-1
0.662
MAT-POS-3b92565d-2
0.662
PET-UNK-bb7ffe78-1
0.658
MIC-UNK-16ccb665-3
0.654
RAL-THA-2d450e86-30
0.653
RAL-THA-2d450e86-17
0.633
MAT-POS-cc05818f-1
0.633
PET-UNK-bb7ffe78-3
0.633
RAL-THA-1d44ff04-10
0.625
RAL-THA-1d44ff04-3
0.617
PET-UNK-8c422e11-1
0.617
ADA-UCB-6c2cb422-1
0.613
PET-UNK-1e7f2e90-1
0.610
MIC-UNK-16ccb665-2
0.610
PET-UNK-8c422e11-3
0.610
MIC-UNK-16ccb665-1
0.610
DAR-DIA-0587064e-4
0.607
DAR-DIA-0587064e-2
0.607
VLA-UNK-b9c208fe-2
0.605
RAL-THA-1d44ff04-9
0.602
RAL-THA-1d44ff04-11
0.602
RAL-THA-1d44ff04-6
0.602
PET-UNK-8c422e11-2
0.602
PET-UNK-bb7ffe78-2
0.602
MIC-UNK-08fa0751-2
0.602
MAT-POS-281d2ee9-1
0.602
RAL-THA-2d450e86-2
0.595
PET-UNK-c5865d42-1
0.588
MIC-UNK-644c43c7-4
0.588
RAL-THA-1d44ff04-7
0.588
PET-UNK-8c422e11-4
0.588
RAL-THA-2d450e86-16
0.587
MIC-UNK-644c43c7-3
0.581
MAT-POS-281d2ee9-2
0.581
RAL-THA-1d44ff04-8
0.581
MAT-POS-9ff17035-3
0.581
VLA-UNK-9a7dc93f-1
0.575
EDJ-MED-50011917-1
0.575
MAT-POS-281d2ee9-3
0.575
DAR-DIA-0587064e-3
0.575
DAR-DIA-0587064e-5
0.575
LON-WEI-9739a092-7
0.573
MAT-POS-23a8a11a-1
0.571
PET-UNK-b87f07d0-1
0.568
DAR-DIA-0587064e-7
0.568
PET-UNK-b87f07d0-2
0.568
PET-UNK-372a2f82-1
0.568
RAL-THA-2d450e86-35
0.566
RAL-THA-1d44ff04-12
0.565
RAL-THA-2d450e86-6
0.562
RAL-THA-2d450e86-9
0.562
PET-UNK-cf04cb02-1
0.562
MIC-UNK-644c43c7-1
0.562
DAR-DIA-0587064e-1
0.562
RAL-THA-2d450e86-1
0.562
LON-WEI-9739a092-9
0.560
NAU-LAT-0543f7f2-9
0.556
MIC-UNK-644c43c7-2
0.556
VLA-UNK-b9c208fe-1
0.553
NAU-LAT-2fed8305-9
0.551
ALP-POS-f13221e1-3
0.550
PET-UNK-c5865d42-2
0.549
EDJ-MED-7320d5d2-1
0.549
DAR-DIA-0587064e-6
0.549
ALP-POS-3b848b35-2
0.549
MAT-POS-3b92565d-3
0.549
MAT-POS-9ff17035-1
0.548
PET-UNK-c9c1e0d8-1
0.544
PET-UNK-b87f07d0-3
0.543
MAT-POS-9ff17035-2
0.543
RAL-THA-2d450e86-8
0.543
PET-UNK-3c72d439-1
0.543
RAL-THA-2d450e86-3
0.539
ALP-POS-fab80cf2-1
0.538
RAL-THA-1d44ff04-1
0.538
RAL-THA-1d44ff04-2
0.538
LON-WEI-9739a092-8
0.538
DAR-DIA-0587064e-8
0.538
NAU-LAT-2fed8305-5
0.537
PET-UNK-dd44aeb6-3
0.536
RAL-THA-2d450e86-28
0.536
RAL-THA-2d450e86-36
0.532
RAL-THA-2d450e86-7
0.532
LON-WEI-9739a092-4
0.532
RAL-THA-2d450e86-10
0.532
NAU-LAT-2fed8305-6
0.532
RAL-THA-2d450e86-33
0.532
LON-WEI-9739a092-3
0.531
PET-UNK-dd44aeb6-2
0.531
PET-UNK-dd44aeb6-1
0.531
RAL-THA-2d450e86-25
0.531
RAL-THA-2d450e86-24
0.531
RAL-THA-2d450e86-27
0.531
VLA-UNK-9a7dc93f-2
0.529