Molecular Properties | |
SMILES: | CC1C(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc2C(=O)N1CC(=O)NC1COC1 |
MW: | 496.13 |
Fraction sp3: | 0.28 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 100.63 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
EDG-MED-ee636701-2
0.814
EDG-MED-ee636701-3
0.690
EDJ-MED-e69ed63d-6
0.655
EDG-MED-ee636701-1
0.618
EDJ-MED-e69ed63d-3
0.565
EDJ-MED-e69ed63d-9
0.556
MAT-POS-e119ab4f-1
0.544
EDJ-MED-0186a59b-5
0.544
MAT-POS-c7726e07-2
0.544
MAT-POS-c7726e07-1
0.544
EDJ-MED-e69ed63d-7
0.543
EDJ-MED-e69ed63d-11
0.530
EDJ-MED-e69ed63d-1
0.525
EDJ-MED-dac03e7f-7
0.525
PET-UNK-c671f938-1
0.522
PET-UNK-c671f938-5
0.522
EDJ-MED-e69ed63d-13
0.517
EDJ-MED-e69ed63d-15
0.517
EDJ-MED-d165ed91-3
0.512
EDJ-MED-e69ed63d-5
0.512
EDJ-MED-43f8f7d6-6
0.504
EDJ-MED-e69ed63d-17
0.504
VLA-UNK-61877630-2
0.496
PET-UNK-3324058f-5
0.488
PET-UNK-3324058f-1
0.488
EDJ-MED-ede277f6-7
0.488
VLA-UNK-61877630-1
0.483
ALP-POS-6f6ae286-1
0.482
PET-UNK-7279c968-5
0.482
PET-UNK-407a74a5-9
0.478
EDG-MED-e300b289-3
0.471
ALP-POS-6f6ae286-5
0.467
EDJ-MED-0186a59b-1
0.467
EDJ-MED-7889e8da-1
0.467
BEN-DND-f06bfa8e-2
0.467
EDJ-MED-0186a59b-6
0.462
LUO-POS-edefcc0e-1
0.462
LUO-POS-74179f4f-1
0.462
EDJ-MED-75baa495-1
0.456
PET-UNK-b78139fa-5
0.455
JOH-UNI-06d7cc04-1
0.455
EDJ-MED-c4e42105-1
0.454
PET-UNK-03fd2068-4
0.453
PET-UNK-03fd2068-1
0.451
EDG-MED-e300b289-2
0.451
PET-UNK-f9b7ae87-5
0.449
EDJ-MED-dac03e7f-6
0.449
EDJ-MED-ede277f6-4
0.448
EDJ-MED-41558c53-9
0.447
PET-UNK-ff046148-4
0.447
EDJ-MED-41558c53-11
0.444
PET-UNK-ff046148-3
0.444
EDJ-MED-b7309adf-1
0.443
MAT-POS-86c60949-1
0.443
PET-UNK-2c6614b6-5
0.443
JOH-UNI-06346b80-1
0.441
PET-UNK-1e13ef09-1
0.440
PET-UNK-407a74a5-18
0.440
PET-UNK-407a74a5-14
0.438
EDJ-MED-e69ed63d-4
0.438
EDJ-MED-c82a5324-2
0.435
EDG-MED-e300b289-1
0.434
EDG-MED-9fc99cca-1
0.432
PET-UNK-ff046148-2
0.432
PET-UNK-c671f938-2
0.431
PET-UNK-c671f938-6
0.431
EDJ-MED-e69ed63d-10
0.431
EDJ-MED-41558c53-5
0.427
MAT-POS-e119ab4f-2
0.426
MAT-POS-c7726e07-3
0.426
MAT-POS-c7726e07-4
0.426
EDG-MED-b8f93667-7
0.425
EDJ-MED-41558c53-13
0.425
EDJ-MED-b2a1399d-3
0.423
EDJ-MED-ede277f6-10
0.423
EDJ-MED-7889e8da-2
0.422
EDJ-MED-be9e6f63-2
0.422
PET-UNK-407a74a5-13
0.421
EDJ-MED-41558c53-1
0.420
EDJ-MED-43f8f7d6-4
0.419
MAT-POS-b4d6b7fc-2
0.419
PET-UNK-6e612674-5
0.418
PET-UNK-6e612674-13
0.418
EDJ-MED-41558c53-3
0.418
ALP-POS-6f6ae286-6
0.417
BEN-DND-f06bfa8e-3
0.417
EDG-MED-b8f93667-3
0.417
EDJ-MED-c3ea9889-6
0.415
PET-UNK-b78139fa-14
0.415
EDJ-MED-3bfd841e-1
0.413
RAL-THA-a9c31980-2
0.413
EDJ-MED-ede277f6-1
0.412
ALP-POS-6f6ae286-4
0.412
EDJ-MED-41558c53-7
0.411
EDJ-MED-e69ed63d-8
0.411
EDJ-MED-0186a59b-7
0.409
MAT-POS-2e8b2191-12
0.409
MAT-POS-c88128cb-13
0.408
EDG-MED-9fc99cca-2
0.406
PET-UNK-3324058f-2
0.405