Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC(C(=O)Nc3cncc4cc(S(C)(=O)=O)ccc34)c3ccccc3C2=O)CC1 |
MW: | 492.15 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 2.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d165ed91-2
0.745
EDJ-MED-41558c53-4
0.745
BEN-DND-f6031113-24
0.722
EDG-MED-9fc99cca-3
0.676
BEN-DND-f6031113-19
0.654
BEN-DND-f6031113-6
0.648
BEN-DND-f6031113-13
0.633
BEN-DND-f6031113-5
0.611
EDJ-MED-41558c53-3
0.589
EDJ-MED-43f8f7d6-2
0.550
EDJ-MED-12c4873b-2
0.550
LUO-POS-8701f4c8-1
0.550
EDJ-MED-d165ed91-1
0.513
EDJ-MED-41558c53-2
0.513
EDJ-MED-41558c53-12
0.513
BEN-DND-fa51d92c-6
0.513
BEN-DND-fa51d92c-13
0.513
EDJ-MED-41558c53-14
0.513
PET-UNK-c671f938-7
0.509
PET-UNK-c671f938-3
0.509
EDJ-MED-0186a59b-7
0.504
MAT-POS-2e8b2191-12
0.504
BEN-DND-fa51d92c-19
0.504
BEN-DND-fa51d92c-5
0.496
EDJ-MED-41558c53-10
0.496
EDJ-MED-c4e42105-4
0.492
EDJ-MED-d165ed91-6
0.487
BEN-DND-f6031113-20
0.483
EDJ-MED-968bafd9-2
0.480
EDJ-MED-c99b2211-3
0.480
EDJ-MED-e69ed63d-14
0.480
BEN-DND-f6031113-7
0.479
EDJ-MED-d165ed91-5
0.475
BEN-DND-f6031113-14
0.475
EDJ-MED-d165ed91-4
0.471
EDJ-MED-c99b2211-4
0.471
EDJ-MED-e69ed63d-12
0.471
EDJ-MED-41558c53-8
0.471
EDJ-MED-e69ed63d-8
0.467
BEN-DND-f6031113-4
0.467
EDJ-MED-7889e8da-5
0.467
EDJ-MED-0186a59b-3
0.467
EDJ-MED-e69ed63d-5
0.464
EDJ-MED-d165ed91-3
0.464
EDJ-MED-e69ed63d-2
0.463
EDJ-MED-e69ed63d-18
0.460
EDJ-MED-e69ed63d-4
0.460
EDJ-MED-e69ed63d-16
0.456
EDJ-MED-41558c53-6
0.456
PET-UNK-3324058f-3
0.456
PET-UNK-3324058f-7
0.456
EDJ-MED-e69ed63d-10
0.452
EDJ-MED-7889e8da-6
0.452
EDJ-MED-378a25ea-9
0.452
BEN-DND-f6031113-21
0.448
BEN-DND-f6031113-22
0.444
MAT-POS-5c19d660-1
0.437
EDJ-MED-ede277f6-6
0.437
EDG-MED-ee636701-1
0.434
EDJ-MED-ede277f6-2
0.433
BEN-DND-f6031113-23
0.432
EDJ-MED-b2a1399d-2
0.431
MAT-POS-7ddaf7de-2
0.426
ERI-UCB-8d4e5055-3
0.426
EDJ-MED-f9b78f78-1
0.426
EDJ-MED-ede277f6-8
0.425
EDJ-MED-ede277f6-12
0.422
BEN-DND-fa51d92c-24
0.419
EDJ-MED-93390d0c-2
0.419
BEN-DND-f6031113-17
0.408
BEN-DND-f6031113-10
0.405
BEN-DND-f6031113-18
0.405
BEN-DND-f6031113-9
0.402
BEN-DND-f6031113-2
0.397
BEN-DND-f6031113-1
0.394
BEN-DND-f6031113-11
0.394
BEN-DND-f6031113-12
0.391
EDJ-MED-12c4873b-1
0.390
EDJ-MED-827e7cb4-2
0.390
PET-UNK-c671f938-8
0.386
PET-UNK-c671f938-4
0.386
EDG-MED-b8f93667-4
0.385
MAT-POS-b4d6b7fc-2
0.385
BEN-DND-f6031113-16
0.384
EDJ-MED-41558c53-1
0.383
EDJ-MED-41558c53-11
0.383
BEN-DND-f6031113-8
0.381
EDJ-MED-ce467fd5-1
0.381
EDJ-MED-827e7cb4-3
0.381
EDJ-MED-41558c53-13
0.377
LUO-POS-74179f4f-1
0.377
MAT-POS-acfe5bae-3
0.377
EDJ-MED-eb111c00-4
0.377
LUO-POS-edefcc0e-1
0.377
EDJ-MED-0186a59b-6
0.377
EDJ-MED-41558c53-7
0.376
PET-UNK-6e612674-7
0.376
PET-UNK-6e612674-15
0.376
EDG-MED-9fc99cca-1
0.375
EDJ-MED-0047eae5-1
0.375