Molecular Properties | |
SMILES: | CC1(C)NC(=O)c2ccc(Cl)cc2C1C(=O)Nc1cncc2ccc(S(C)(=O)=O)cc12 |
MW: | 457.09 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 105.23 |
cLogP: | 3.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-edabd372-1
0.642
EDJ-MED-827e7cb4-1
0.625
FRA-DIA-6238d354-2
0.545
EDJ-MED-827e7cb4-5
0.535
MAT-POS-edabd372-2
0.534
EDJ-MED-827e7cb4-2
0.533
EDJ-MED-827e7cb4-3
0.519
EDJ-MED-ce467fd5-1
0.519
BEN-DND-c852c98b-5
0.515
ERI-UCB-8d4e5055-4
0.515
EDJ-MED-93390d0c-1
0.515
ALP-POS-e6e0c683-4
0.510
PET-UNK-1e13ef09-2
0.510
EDJ-MED-827e7cb4-6
0.491
EDJ-MED-378a25ea-10
0.487
EDJ-MED-827e7cb4-9
0.483
EDJ-MED-611d11e7-2
0.462
ALP-UNI-8d415491-5
0.462
EDJ-MED-670ad2ee-4
0.458
EDJ-MED-841e0cf0-4
0.458
MAT-POS-64942dd0-1
0.455
EDJ-MED-d9f3798e-1
0.455
EDJ-MED-827e7cb4-4
0.454
BEN-DND-a02b439d-10
0.453
PET-UNK-e9bc7c59-1
0.446
PET-UNK-fe31e24a-1
0.444
MAT-POS-96f51285-4
0.444
ALP-POS-f1807566-2
0.444
EDJ-MED-611d11e7-3
0.444
RAL-THA-b9d6aec1-2
0.440
RAL-THA-b9d6aec1-3
0.435
BEN-DND-a02b439d-11
0.431
PET-UNK-fe31e24a-2
0.431
EDJ-MED-ce467fd5-2
0.431
EDJ-MED-923a35c2-3
0.429
PET-UNK-b566c0b0-2
0.429
RAL-THA-b9d6aec1-1
0.427
FRA-DIA-6238d354-1
0.425
EDJ-MED-923a35c2-1
0.425
EDJ-MED-ce467fd5-3
0.420
MAT-POS-1a13cd81-1
0.418
EDJ-MED-378a25ea-12
0.417
MAT-POS-777f5926-1
0.415
MAT-POS-22e8b45a-4
0.415
PET-UNK-e9bc7c59-2
0.412
MAT-POS-96f51285-2
0.411
EDJ-MED-611d11e7-1
0.411
EDG-MED-ee636701-1
0.410
DAR-DIA-70d163b2-2
0.410
PET-UNK-03fd2068-3
0.409
PET-UNK-e9bc7c59-3
0.409
PET-UNK-81b485b5-26
0.405
PET-UNK-81b485b5-12
0.405
EDJ-MED-d165ed91-6
0.403
MAT-POS-81ae2990-3
0.403
EDJ-MED-d165ed91-2
0.400
EDJ-MED-41558c53-4
0.400
EDJ-MED-378a25ea-34
0.398
EDJ-MED-c4e42105-4
0.398
EDJ-MED-923a35c2-2
0.398
EDJ-MED-946e547c-1
0.397
MAT-POS-2e8b2191-12
0.395
EDJ-MED-ce467fd5-4
0.395
EDJ-MED-0186a59b-7
0.395
MAT-POS-90fd5f68-35
0.394
PET-UNK-e9bc7c59-4
0.393
PET-UNK-7279c968-6
0.393
MAT-POS-22e8b45a-1
0.393
MIC-UNK-91acba05-1
0.393
ROB-UNI-322e8f70-3
0.393
MAT-POS-865c3497-2
0.393
MAT-POS-865c3497-1
0.393
EDJ-MED-d165ed91-1
0.390
EDJ-MED-41558c53-2
0.390
PET-UNK-7279c968-7
0.389
PET-UNK-fe31e24a-5
0.389
EDJ-MED-c4e42105-3
0.388
EDJ-MED-e69ed63d-12
0.388
EDJ-MED-c99b2211-4
0.388
EDJ-MED-d165ed91-4
0.388
MAT-POS-90fd5f68-29
0.388
MAT-POS-7ddaf7de-2
0.387
ERI-UCB-8d4e5055-3
0.387
EDJ-MED-f9b78f78-1
0.387
EDJ-MED-c99b2211-3
0.387
EDJ-MED-e69ed63d-16
0.387
EDJ-MED-670ad2ee-10
0.386
PET-UNK-b38839dc-13
0.386
EDJ-MED-841e0cf0-7
0.386
EDJ-MED-670ad2ee-9
0.386
PET-UNK-7279c968-8
0.386
MAT-POS-2e8b2191-11
0.385
EDJ-MED-41558c53-10
0.385
PET-UNK-c671f938-3
0.385
PET-UNK-c671f938-7
0.385
PET-UNK-f4e47ebd-9
0.384
ALP-POS-6479a3a9-4
0.383
DAR-DIA-0d514e7d-36
0.383
ALF-EVA-5b152d2f-3
0.383
EDJ-MED-e69ed63d-2
0.382