Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CNc2ccc(Cl)cc21 |
MW: | 323.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 54.02 |
cLogP: | 4.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-91acba05-5
0.716
EDJ-MED-92e193ae-1
0.716
EDJ-MED-92e193ae-2
0.716
ALP-POS-477dc5b7-2
0.716
ALF-EVA-b701bd13-4
0.688
ROB-UNI-322e8f70-2
0.687
ERI-UCB-b3e6b0c2-2
0.671
ERI-UCB-b3e6b0c2-11
0.663
EDJ-MED-a6bd50ad-1
0.655
MIC-UNK-45817b9b-1
0.655
MAT-POS-43c25e9b-2
0.655
MAT-POS-865c3497-2
0.655
MAT-POS-43c25e9b-1
0.655
MAT-POS-865c3497-1
0.655
MIC-UNK-91acba05-1
0.655
MAT-POS-22e8b45a-1
0.655
ROB-UNI-322e8f70-3
0.655
MAT-POS-af1eef35-3
0.647
BEN-DND-d6f8d3c6-1
0.647
ALP-POS-a577c8a2-1
0.647
EDJ-MED-e18764cb-2
0.647
MAT-POS-3ccb8ef6-1
0.624
MAT-POS-d8472c4f-5
0.624
BEN-DND-f2e727cd-5
0.624
MAT-POS-3ccb8ef6-2
0.624
ERI-UCB-b3e6b0c2-16
0.613
ERI-UCB-b3e6b0c2-8
0.613
DAR-DIA-9f765dc6-1
0.602
DAR-DIA-9f765dc6-3
0.602
DAR-DIA-9f765dc6-4
0.602
DAR-DIA-9f765dc6-2
0.598
DAR-DIA-9f765dc6-5
0.598
DAR-DIA-9f765dc6-6
0.598
ERI-UCB-b3e6b0c2-5
0.588
PET-UNK-022eab87-1
0.581
BEN-BAS-c2bc0d80-1
0.581
EDJ-MED-12c115cc-1
0.576
MAT-POS-f7918075-2
0.576
MAT-POS-bbbbc21a-2
0.576
EDJ-MED-12c115cc-2
0.576
PET-UNK-1b92fa34-1
0.573
LUO-POS-868e8996-13
0.568
LUO-POS-868e8996-14
0.568
MIC-UNK-91acba05-4
0.568
ALP-UNI-c3ef0aba-2
0.568
BEN-DND-f2e727cd-4
0.568
MIC-UNK-8758c41d-2
0.568
ALP-POS-477dc5b7-1
0.568
MAT-POS-66a736cf-1
0.568
MIC-UNK-91acba05-3
0.568
MAR-UCB-6ab2ec87-2
0.563
LUO-POS-ba0d8665-1
0.562
RAL-THA-4aa06b95-1
0.560
ROB-UNI-322e8f70-1
0.557
EDG-MED-5d232de5-5
0.556
PET-UNK-c0891748-4
0.556
EDG-MED-5d232de5-6
0.556
DAR-DIA-0f2f46c9-12
0.556
PET-UNK-c0891748-10
0.556
ALF-EVA-b701bd13-5
0.556
MIC-UNK-91acba05-6
0.556
RAL-THA-8416115c-2
0.556
MAT-POS-f7918075-1
0.551
VLA-UNK-f49ebb87-1
0.551
MAT-POS-78e1d523-1
0.551
MAR-UCB-6ab2ec87-6
0.551
VLA-UCB-1dbca3b4-15
0.551
MAT-POS-b3e365b9-1
0.551
MAT-POS-b3e365b9-2
0.551
ALF-EVA-5b152d2f-1
0.549
DAR-DIA-0f2f46c9-10
0.549
RAL-THA-8416115c-6
0.545
MAR-UCB-6ab2ec87-7
0.544
ALP-POS-966f8da6-2
0.543
EDG-MED-5d232de5-4
0.543
ALP-POS-a577c8a2-2
0.543
DAR-DIA-0f2f46c9-5
0.543
EDG-MED-5d232de5-3
0.543
RAL-THA-c11c1343-1
0.543
DAR-DIA-0f2f46c9-4
0.543
DAR-DIA-0f2f46c9-6
0.543
RAL-THA-4aa06b95-2
0.543
BEN-BAS-c2bc0d80-2
0.539
BEN-DND-a02b439d-14
0.539
ADA-UCB-dc2b944c-16
0.538
PET-UNK-c0891748-12
0.538
MAT-POS-acfe5bae-6
0.538
ALP-POS-f1807566-1
0.538
EDJ-MED-eb111c00-1
0.538
MIC-UNK-91acba05-2
0.538
MAT-POS-2e8b2191-2
0.538
MAT-POS-2e8b2191-3
0.538
PET-UNK-c0891748-6
0.538
DAR-DIA-0f2f46c9-2
0.538
RAL-THA-8416115c-3
0.538
RAL-THA-4aa06b95-6
0.538
DAR-DIA-0f2f46c9-3
0.538
DAR-DIA-0f2f46c9-1
0.538
ALP-UNI-3735e77e-4
0.533
MAT-POS-f9802937-9
0.533