Molecular Properties | |
SMILES: | NCc1ccc2c(NC(=O)[C@@H]3CNc4ccc(Cl)cc43)cncc2c1 |
MW: | 352.11 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 80.04 |
cLogP: | 3.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-12c115cc-1
ERI-UCB-b3e6b0c2-2
0.733
MAR-UCB-6ab2ec87-1
0.663
ERI-UCB-b3e6b0c2-16
0.653
ERI-UCB-b3e6b0c2-10
0.615
MAK-UNK-8be7dca9-5
0.589
ERI-UCB-b3e6b0c2-12
0.583
ERI-UCB-b3e6b0c2-5
0.563
ERI-UCB-b3e6b0c2-8
0.554
EDJ-MED-f9b78f78-5
0.505
EDJ-MED-92e193ae-2
0.490
EDJ-MED-92e193ae-1
0.490
ALP-POS-477dc5b7-2
0.490
MIC-UNK-91acba05-5
0.490
MAK-UNK-8be7dca9-2
0.471
ALP-POS-6f6ae286-1
0.471
PET-UNK-7279c968-5
0.471
ALP-POS-82da25a3-1
0.471
EDJ-MED-f9b78f78-1
0.466
ALF-EVA-5b152d2f-8
0.457
MAT-POS-af1eef35-3
0.455
BEN-DND-d6f8d3c6-1
0.455
EDJ-MED-e18764cb-2
0.455
ALP-POS-a577c8a2-1
0.455
ROB-UNI-322e8f70-2
0.455
EDJ-MED-f9b78f78-2
0.454
ERI-UCB-b3e6b0c2-1
0.451
JAG-UCB-571deb56-4
0.450
ALF-EVA-b701bd13-4
0.449
JAG-UCB-571deb56-5
0.449
MIC-UNK-45817b9b-1
0.446
MAT-POS-43c25e9b-2
0.446
EDJ-MED-a6bd50ad-1
0.446
MAT-POS-43c25e9b-1
0.446
ERI-UCB-b3e6b0c2-14
0.445
JAG-UCB-571deb56-2
0.444
BEN-DND-d1eb1f41-10
0.443
MAT-POS-86c60949-2
0.443
MAT-POS-865c3497-1
0.431
BEN-DND-f06bfa8e-6
0.431
MAT-POS-865c3497-2
0.431
PET-UNK-b1ef24dc-11
0.431
MIC-UNK-91acba05-1
0.431
ROB-UNI-322e8f70-3
0.431
MAT-POS-22e8b45a-1
0.431
ERI-UCB-8d4e5055-1
0.430
ERI-UCB-b3e6b0c2-13
0.430
MAK-UNK-8be7dca9-1
0.430
JAG-UCB-571deb56-1
0.429
BEN-DND-d1eb1f41-3
0.427
BEN-DND-f06bfa8e-5
0.426
EDJ-MED-b7309adf-2
0.426
JAG-UCB-571deb56-6
0.425
MAT-POS-7ddaf7de-1
0.422
JAG-UCB-571deb56-3
0.422
JAG-UCB-571deb56-7
0.422
ERI-UCB-b3e6b0c2-3
0.421
ERI-UCB-8d4e5055-6
0.419
MAT-POS-7ddaf7de-3
0.419
PET-UNK-7279c968-9
0.417
PET-UNK-b1ef24dc-12
0.413
PET-UNK-b78139fa-5
0.413
PET-UNK-b38839dc-14
0.413
PET-UNK-1e13ef09-1
0.411
ALP-POS-1460fd94-1
0.410
PET-UNK-7f7e354d-2
0.410
PET-UNK-e274cad4-9
0.410
MAK-UNK-8be7dca9-9
0.410
PET-UNK-7279c968-8
0.409
PET-UNK-b38839dc-13
0.409
EDJ-MED-4f4dd660-3
0.408
MAT-POS-d8472c4f-5
0.408
BEN-DND-f2e727cd-5
0.408
MAT-POS-3ccb8ef6-1
0.408
MAT-POS-3ccb8ef6-2
0.408
ALF-EVA-82cf4849-10
0.407
EDJ-MED-4f4dd660-4
0.407
EDJ-MED-f9b78f78-3
0.406
EDJ-MED-41558c53-9
0.406
ERI-UCB-b3e6b0c2-15
0.405
PET-UNK-b78139fa-6
0.404
PET-UNK-b1ef24dc-9
0.404
EDJ-MED-4f4dd660-1
0.403
EDJ-MED-b7309adf-1
0.402
PET-UNK-2c6614b6-5
0.402
PET-UNK-c671f938-2
0.402
MAT-POS-86c60949-1
0.402
PET-UNK-c671f938-6
0.402
EDJ-MED-f9b78f78-6
0.402
EDJ-MED-4f4dd660-2
0.402
EDJ-MED-378a25ea-23
0.402
PET-UNK-b1ef24dc-10
0.400
EDJ-MED-41558c53-5
0.400
PET-UNK-7279c968-7
0.400
EDJ-MED-d9f3798e-2
0.398
PET-UNK-e9bc7c59-2
0.398
MAT-POS-1ecf5680-1
0.396
DAR-DIA-9f765dc6-3
0.396
PET-UNK-03fd2068-1
0.396
DAR-DIA-9f765dc6-1
0.396
DAR-DIA-9f765dc6-4
0.396