Molecular Properties | |
SMILES: | NCc1ccc2cncc(NC(=O)[C@@H]3CNc4ccc(Cl)cc43)c2c1 |
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-b3e6b0c2-11
0.733
ERI-UCB-b3e6b0c2-5
0.702
MAR-UCB-6ab2ec87-1
0.671
ERI-UCB-b3e6b0c2-8
0.660
ERI-UCB-b3e6b0c2-1
0.615
ERI-UCB-b3e6b0c2-3
0.589
ALF-EVA-82cf4849-10
0.573
ERI-UCB-b3e6b0c2-16
0.560
BEN-DND-d1eb1f41-10
0.551
MAT-POS-86c60949-2
0.551
BEN-DND-d1eb1f41-3
0.515
MIC-UNK-91acba05-5
0.495
EDJ-MED-92e193ae-2
0.495
EDJ-MED-92e193ae-1
0.495
ALP-POS-477dc5b7-2
0.495
ALP-POS-82da25a3-2
0.475
MAK-UNK-8be7dca9-8
0.466
PET-UNK-fe31e24a-1
0.462
EDJ-MED-827e7cb4-1
0.462
PET-UNK-fe31e24a-2
0.462
ALP-POS-f1807566-2
0.462
ROB-UNI-322e8f70-2
0.460
ALF-EVA-b701bd13-4
0.454
PET-UNK-b1ef24dc-11
0.450
PET-UNK-e9bc7c59-1
0.450
ALF-EVA-0b412456-5
0.449
MAT-POS-af1eef35-3
0.446
BEN-DND-d6f8d3c6-1
0.446
EDJ-MED-e18764cb-2
0.446
ALP-POS-a577c8a2-1
0.446
ERI-UCB-b3e6b0c2-6
0.445
EDJ-MED-d9f3798e-1
0.444
EDJ-MED-d9f3798e-2
0.440
MAT-POS-43c25e9b-2
0.436
MAT-POS-22e8b45a-1
0.436
MIC-UNK-45817b9b-1
0.436
EDJ-MED-a6bd50ad-1
0.436
MAT-POS-865c3497-1
0.436
MAT-POS-865c3497-2
0.436
MIC-UNK-91acba05-1
0.436
ROB-UNI-322e8f70-3
0.436
MAT-POS-43c25e9b-1
0.436
EDJ-MED-f9b78f78-5
0.434
ERI-UCB-8d4e5055-2
0.434
ERI-UCB-b3e6b0c2-4
0.434
MAT-POS-8695a11f-2
0.434
ERI-UCB-b3e6b0c2-10
0.431
MAK-UNK-8be7dca9-5
0.429
ALF-EVA-5b152d2f-3
0.426
PET-UNK-1b92fa34-2
0.423
MAT-POS-86c60949-3
0.422
ERI-UCB-8d4e5055-5
0.422
PET-UNK-b78139fa-7
0.422
PET-UNK-7279c968-9
0.421
MAR-UCB-6ab2ec87-5
0.420
BEN-DND-c852c98b-3
0.419
PET-UNK-b1ef24dc-12
0.417
PET-UNK-b38839dc-14
0.417
PET-UNK-7279c968-7
0.417
ALF-EVA-5b152d2f-2
0.413
PET-UNK-7f7e354d-2
0.413
PET-UNK-2c6614b6-6
0.413
PET-UNK-7279c968-8
0.413
PET-UNK-b38839dc-13
0.413
BEN-DND-f2e727cd-5
0.412
MAT-POS-d8472c4f-5
0.412
MAT-POS-3ccb8ef6-1
0.412
MAT-POS-3ccb8ef6-2
0.412
ERI-UCB-b3e6b0c2-12
0.411
ALP-POS-696356e4-1
0.408
EDJ-MED-ba7e64f2-1
0.408
EDG-MED-5d232de5-1
0.408
EDG-MED-5d232de5-2
0.408
BEN-DND-c852c98b-4
0.408
ALP-POS-ce760d3f-7
0.408
PET-UNK-b1ef24dc-9
0.408
PET-UNK-7279c968-6
0.407
PET-UNK-7279c968-5
0.406
ALP-POS-6f6ae286-1
0.406
MAT-POS-8293a91a-3
0.406
PET-UNK-b1ef24dc-10
0.404
ALP-POS-e6e0c683-4
0.404
PET-UNK-1e13ef09-2
0.404
EDJ-MED-f9b78f78-1
0.402
PET-UNK-e9bc7c59-2
0.402
EDJ-MED-009f762b-4
0.402
MAT-POS-61f37a1a-13
0.402
EDJ-MED-378a25ea-24
0.402
DAR-DIA-9f765dc6-1
0.400
ALP-UNI-8d415491-6
0.400
EDJ-MED-611d11e7-5
0.400
DAR-DIA-9f765dc6-3
0.400
DAR-DIA-9f765dc6-4
0.400
MAT-POS-ec6d90b7-5
0.400
PET-UNK-e274cad4-9
0.400
DAR-DIA-b4e9dd8d-2
0.398
DAR-DIA-b4e9dd8d-4
0.398
PET-UNK-e9bc7c59-3
0.398
DAR-DIA-b4e9dd8d-5
0.398
ALF-EVA-5b152d2f-7
0.398