Molecular Properties | |
SMILES: | O=C1NCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)cc(F)c21 |
MW: | 369.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-9f765dc6-1
1.000
DAR-DIA-9f765dc6-3
1.000
ALP-POS-f1807566-1
0.768
MAT-POS-acfe5bae-6
0.768
DAR-DIA-9f765dc6-6
0.735
DAR-DIA-9f765dc6-2
0.735
DAR-DIA-9f765dc6-5
0.735
MAT-POS-22e8b45a-1
0.694
ROB-UNI-322e8f70-3
0.694
MIC-UNK-91acba05-1
0.694
MAT-POS-865c3497-2
0.694
MAT-POS-865c3497-1
0.694
MIC-UNK-8758c41d-2
0.607
MAR-UCB-6ab2ec87-1
0.602
DAR-DIA-9f765dc6-8
0.582
DAR-DIA-9f765dc6-7
0.582
DAR-DIA-9f765dc6-9
0.582
BEN-DND-d6f8d3c6-1
0.559
EDJ-MED-e18764cb-2
0.559
ALP-POS-a577c8a2-1
0.559
MAT-POS-af1eef35-3
0.559
ALF-EVA-b701bd13-4
0.556
MAT-POS-3ccb8ef6-2
0.554
MAT-POS-d8472c4f-5
0.554
MAT-POS-3ccb8ef6-1
0.554
BEN-DND-f2e727cd-5
0.554
RAL-THA-05e671eb-17
0.553
PET-UNK-7279c968-5
0.526
ALP-POS-6f6ae286-1
0.526
ALP-UNI-ba800595-1
0.521
EDJ-MED-827e7cb4-4
0.520
BEN-BAS-c2bc0d80-1
0.516
MAR-UCB-6ab2ec87-4
0.516
MAT-POS-43c25e9b-1
0.516
MIC-UNK-91acba05-5
0.516
ALP-POS-477dc5b7-2
0.516
MIC-UNK-45817b9b-1
0.516
MAT-POS-43c25e9b-2
0.516
EDJ-MED-92e193ae-1
0.516
EDJ-MED-92e193ae-2
0.516
MAT-POS-f39f51fd-1
0.516
EDJ-MED-a6bd50ad-1
0.516
ALP-POS-fe871b40-15
0.515
EDJ-MED-12c115cc-1
0.511
EDJ-MED-12c115cc-2
0.511
MAT-POS-f7918075-2
0.511
MAT-POS-bbbbc21a-2
0.511
BEN-DND-a02b439d-14
0.511
MIC-UNK-91acba05-2
0.510
EDJ-MED-eb111c00-1
0.510
PET-UNK-c0891748-6
0.510
PET-UNK-c0891748-12
0.510
MAR-UCB-6ab2ec87-6
0.505
BEN-DND-f2e727cd-4
0.505
ALP-UNI-c3ef0aba-2
0.505
MAT-POS-78e1d523-1
0.505
MIC-UNK-45817b9b-2
0.505
MAT-POS-8a69d52e-1
0.505
ALP-POS-d3acb8cc-2
0.505
ALP-UNI-ba800595-2
0.505
ALP-POS-d3acb8cc-1
0.505
EDJ-MED-e4b030d8-3
0.505
MAT-POS-8a69d52e-2
0.505
ALP-POS-d3acb8cc-3
0.505
MAT-POS-8a69d52e-3
0.505
ALP-POS-fe871b40-10
0.505
ALP-POS-d3acb8cc-4
0.505
EDJ-MED-e4b030d8-2
0.505
MIC-UNK-482af05e-4
0.505
EDJ-MED-43f8f7d6-8
0.505
EDJ-MED-12c4873b-8
0.505
RAL-THA-8f106089-1
0.505
RAL-THA-8f106089-2
0.505
RAL-THA-4aa06b95-1
0.500
MIC-UNK-482af05e-3
0.500
MAR-UCB-6ab2ec87-7
0.500
EDJ-MED-eb111c00-3
0.500
DAR-DIA-70d163b2-3
0.500
PET-UNK-022eab87-1
0.500
PET-UNK-2337ec19-1
0.495
PET-UNK-2337ec19-3
0.495
FRA-DIA-b66f7109-1
0.495
ALP-POS-fe871b40-2
0.495
MIC-UNK-91acba05-6
0.495
EDG-MED-5d232de5-6
0.495
ROB-UNI-611831f5-2
0.495
ALP-POS-fe871b40-6
0.495
MAT-POS-2e8b2191-3
0.495
RAL-THA-8416115c-2
0.495
VLA-UNK-9a7dc93f-3
0.495
ALP-POS-ce760d3f-1
0.495
EDG-MED-5d232de5-5
0.495
ROB-UNI-322e8f70-2
0.495
DAR-DIA-0f2f46c9-12
0.495
EDJ-MED-43f8f7d6-7
0.490
EDJ-MED-12c4873b-6
0.490
RAL-THA-8f106089-3
0.490
RAL-THA-8f106089-4
0.490
PET-UNK-f860268d-2
0.490
PET-UNK-f860268d-5
0.490