Molecular Properties | |
SMILES: | O=C1NC[C@H](C(=O)Nc2cncc3ccccc23)c2cc(Cl)cc(Cl)c21 |
MW: | 385.04 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-9f765dc6-2
1.000
DAR-DIA-9f765dc6-6
1.000
DAR-DIA-9f765dc6-1
0.735
DAR-DIA-9f765dc6-4
0.735
DAR-DIA-9f765dc6-3
0.735
MAT-POS-865c3497-2
0.690
MAT-POS-22e8b45a-1
0.690
MIC-UNK-91acba05-1
0.690
ROB-UNI-322e8f70-3
0.690
MAT-POS-865c3497-1
0.690
MAT-POS-acfe5bae-6
0.663
ALP-POS-f1807566-1
0.663
MIC-UNK-8758c41d-2
0.640
MAR-UCB-6ab2ec87-1
0.598
MAT-POS-f39f51fd-1
0.596
ALF-EVA-b701bd13-4
0.586
ALP-UNI-ba800595-1
0.584
DAR-DIA-9f765dc6-10
0.567
DAR-DIA-9f765dc6-11
0.567
DAR-DIA-9f765dc6-12
0.567
MAR-UCB-6ab2ec87-4
0.562
BEN-DND-d6f8d3c6-1
0.554
EDJ-MED-e18764cb-2
0.554
MAT-POS-af1eef35-3
0.554
ALP-POS-a577c8a2-1
0.554
BEN-DND-f2e727cd-5
0.549
MAT-POS-3ccb8ef6-1
0.549
MAT-POS-d8472c4f-5
0.549
MAT-POS-3ccb8ef6-2
0.549
ALP-UNI-3735e77e-2
0.543
RAL-THA-05e671eb-16
0.543
BEN-DND-a02b439d-14
0.538
FRA-DIA-b66f7109-1
0.520
BEN-BAS-c2bc0d80-1
0.511
VLA-UNK-56836b69-1
0.511
ALF-EVA-b701bd13-3
0.511
MAT-POS-43c25e9b-2
0.511
EDJ-MED-a6bd50ad-1
0.511
EDJ-MED-92e193ae-1
0.511
ALP-POS-fe871b40-16
0.511
MIC-UNK-45817b9b-1
0.511
MAT-POS-43c25e9b-1
0.511
EDJ-MED-92e193ae-2
0.511
MIC-UNK-91acba05-5
0.511
MIC-UNK-8758c41d-3
0.511
ALP-POS-477dc5b7-2
0.511
FRA-DIA-c7e803f4-1
0.506
FRA-DIA-0fa076fe-1
0.506
MAT-POS-bbbbc21a-2
0.505
MAT-POS-f7918075-2
0.505
FRA-DIA-0fa076fe-2
0.505
EDJ-MED-12c115cc-2
0.505
EDJ-MED-12c115cc-1
0.505
ALP-POS-fe871b40-6
0.505
PET-UNK-c0891748-6
0.505
PET-UNK-c0891748-12
0.505
MIC-UNK-91acba05-2
0.505
EDJ-MED-eb111c00-1
0.505
ALP-POS-ce760d3f-1
0.505
ROB-UNI-611831f5-2
0.505
ALP-POS-fe871b40-2
0.505
PET-UNK-7279c968-5
0.505
ALP-POS-6f6ae286-1
0.505
ALP-UNI-3735e77e-4
0.500
MAT-POS-f9802937-8
0.500
VLA-UNK-f49ebb87-1
0.500
EDJ-MED-43f8f7d6-8
0.500
EDJ-MED-12c4873b-8
0.500
RAL-THA-8f106089-1
0.500
RAL-THA-8f106089-2
0.500
ALP-POS-fe871b40-14
0.500
ALP-UNI-c3ef0aba-2
0.500
MAT-POS-78e1d523-5
0.500
MAT-POS-f9802937-9
0.500
BEN-DND-f2e727cd-4
0.500
MIC-UNK-45817b9b-2
0.500
MAT-POS-78e1d523-1
0.500
MAT-POS-78e1d523-6
0.500
ALP-POS-fe871b40-13
0.500
ALF-EVA-b701bd13-6
0.500
PET-UNK-022eab87-1
0.495
DAR-DIA-6a508060-5
0.490
VLA-UNK-8e76d113-2
0.490
MIC-UNK-91acba05-6
0.490
ROB-UNI-322e8f70-2
0.490
ALF-EVA-82cf4849-1
0.490
VLA-UNK-9a7dc93f-3
0.490
RAL-THA-8416115c-2
0.490
ALF-EVA-b701bd13-5
0.490
EDG-MED-5d232de5-6
0.490
EDG-MED-5d232de5-5
0.490
BEN-DND-11faade0-1
0.489
DAR-DIA-9f765dc6-7
0.485
EDJ-MED-43f8f7d6-7
0.485
RAL-THA-8f106089-3
0.485
RAL-THA-8f106089-4
0.485
DAR-DIA-9f765dc6-8
0.485
EDJ-MED-12c4873b-6
0.485
DAR-DIA-9f765dc6-9
0.485
PET-UNK-f860268d-2
0.485