Molecular Properties | |
SMILES: | O=C1NCC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(Cl)cc21 |
MW: | 385.04 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-865c3497-1
0.699
MAT-POS-865c3497-2
0.699
MIC-UNK-91acba05-1
0.699
MAT-POS-22e8b45a-1
0.699
ROB-UNI-322e8f70-3
0.699
ALF-EVA-b701bd13-4
0.651
DAR-DIA-9f765dc6-2
0.640
DAR-DIA-9f765dc6-5
0.640
DAR-DIA-9f765dc6-6
0.640
DAR-DIA-9f765dc6-3
0.607
DAR-DIA-9f765dc6-1
0.607
DAR-DIA-9f765dc6-4
0.607
BEN-DND-a02b439d-14
0.598
MAT-POS-acfe5bae-6
0.578
ALP-POS-f1807566-1
0.578
MAR-UCB-6ab2ec87-1
0.568
VLA-UNK-56836b69-1
0.567
ALP-POS-fe871b40-16
0.567
MIC-UNK-8758c41d-3
0.567
ALP-UNI-3735e77e-4
0.556
MAT-POS-f9802937-9
0.556
MAT-POS-78e1d523-5
0.556
MAT-POS-f9802937-8
0.556
MAT-POS-78e1d523-6
0.556
ALF-EVA-b701bd13-6
0.554
ALF-EVA-b701bd13-5
0.543
FRA-DIA-b66f7109-1
0.541
FRA-DIA-0fa076fe-2
0.528
ALP-POS-869ac754-1
0.527
RAL-THA-05e671eb-2
0.527
RYA-UNI-6d7114fd-1
0.527
ALP-POS-a577c8a2-1
0.527
BEN-DND-d6f8d3c6-1
0.527
MAT-POS-af1eef35-3
0.527
EDJ-MED-e18764cb-2
0.527
MAT-POS-3ccb8ef6-1
0.522
MAT-POS-3ccb8ef6-2
0.522
MAT-POS-d8472c4f-5
0.522
MIC-UNK-8758c41d-1
0.522
BEN-DND-f2e727cd-5
0.522
ALF-EVA-b701bd13-3
0.516
FRA-DIA-0fa076fe-1
0.511
FRA-DIA-c7e803f4-1
0.511
VLA-UNK-9a7dc93f-3
0.511
ALF-EVA-82cf4849-1
0.511
BEN-DND-a02b439d-15
0.511
BEN-DND-34fc7f90-8
0.511
VLA-UNK-8e76d113-2
0.510
ALP-UNI-ba800595-1
0.505
ALP-POS-fe871b40-10
0.505
ALP-UNI-ba800595-2
0.505
ALP-POS-fe871b40-15
0.500
BEN-BAS-c2bc0d80-4
0.500
BEN-DND-a02b439d-2
0.500
MAT-POS-f39f51fd-1
0.500
ALF-EVA-82cf4849-5
0.500
FRA-DIA-b66f7109-2
0.495
VLA-UNK-8e76d113-1
0.495
BEN-DND-a02b439d-1
0.495
ALP-POS-6f6ae286-1
0.495
PET-UNK-7279c968-5
0.495
ALF-EVA-82cf4849-2
0.495
ALP-UNI-3735e77e-3
0.495
RAL-THA-05e671eb-11
0.495
BEN-DND-11faade0-1
0.495
ALP-UNI-c3ef0aba-1
0.489
ALP-POS-869ac754-2
0.489
MAT-POS-43c25e9b-1
0.484
MIC-UNK-45817b9b-1
0.484
EDJ-MED-a6bd50ad-1
0.484
EDJ-MED-92e193ae-2
0.484
RAL-THA-05e671eb-27
0.484
MAT-POS-43c25e9b-2
0.484
EDJ-MED-92e193ae-1
0.484
EDJ-MED-e4b030d8-10
0.484
ALP-POS-477dc5b7-2
0.484
MIC-UNK-91acba05-5
0.484
MAR-UCB-6ab2ec87-4
0.484
FRA-DIA-b66f7109-4
0.480
PET-UNK-1b92fa34-3
0.480
RAL-THA-05e671eb-28
0.479
PET-UNK-c0891748-6
0.479
PET-UNK-c0891748-12
0.479
MIC-UNK-91acba05-2
0.479
ALP-POS-fe871b40-6
0.479
EDJ-MED-eb111c00-1
0.479
ROB-UNI-611831f5-2
0.479
RAL-THA-05e671eb-32
0.479
EDJ-MED-12c115cc-1
0.478
RAL-THA-05e671eb-21
0.478
MAT-POS-f7918075-2
0.478
MAT-POS-bbbbc21a-2
0.478
EDJ-MED-12c115cc-2
0.478
EDJ-MED-43f8f7d6-8
0.476
RAL-THA-8f106089-1
0.476
RAL-THA-8f106089-2
0.476
EDJ-MED-12c4873b-8
0.476
MIC-UNK-54748b58-3
0.476
EDJ-MED-015fb6b4-3
0.476
ALP-POS-fe871b40-14
0.474