Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2ccc(Cl)cc2C2(C1)OCCN(c1cncc3ccccc13)C2=O |
MW: | 457.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 79.81 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-7e9559de-6
0.645
PET-UNK-7e9559de-3
0.645
EDJ-MED-7587a9ee-3
0.620
EDJ-MED-7587a9ee-2
0.608
PET-UNK-14142a25-4
0.568
PET-UNK-14142a25-13
0.568
PET-UNK-14142a25-5
0.539
PET-UNK-14142a25-14
0.539
ALP-POS-ecbed2ba-20
0.533
ALP-POS-ecbed2ba-18
0.532
LUO-POS-ed2cfb03-2
0.528
LUO-POS-ed2cfb03-1
0.523
ALP-POS-ecbed2ba-3
0.518
MAT-POS-2e8b2191-8
0.509
EDJ-MED-7587a9ee-1
0.509
EDJ-MED-3707c4bc-1
0.504
EDJ-MED-3707c4bc-2
0.504
EDJ-MED-5cd3920d-5
0.500
ALP-POS-ecbed2ba-10
0.496
EDJ-MED-4138fde9-8
0.496
PET-UNK-143b31ee-3
0.492
PET-UNK-143b31ee-6
0.492
ALP-POS-ecbed2ba-19
0.491
PET-UNK-94036022-3
0.491
EDJ-MED-accc2c4d-3
0.491
PET-UNK-94036022-10
0.491
EDJ-MED-accc2c4d-4
0.491
ALP-POS-ecbed2ba-6
0.487
ALP-POS-ecbed2ba-17
0.487
ALP-POS-ecbed2ba-13
0.483
EDJ-MED-4138fde9-9
0.483
ALP-POS-ecbed2ba-1
0.483
PET-UNK-94036022-2
0.483
PET-UNK-94036022-9
0.483
EDJ-MED-accc2c4d-1
0.483
EDJ-MED-40e596c8-1
0.482
ALP-POS-ecbed2ba-21
0.479
MIK-ENA-5d9157e9-1
0.479
ALP-POS-ecbed2ba-4
0.479
EDJ-MED-8bb691af-6
0.479
ALP-POS-ecbed2ba-9
0.479
MIK-ENA-5d9157e9-2
0.479
EDJ-MED-accc2c4d-2
0.479
LUO-POS-e1dab717-19
0.477
ALP-POS-ecbed2ba-16
0.475
ALP-POS-ecbed2ba-5
0.475
EDJ-MED-5cd3920d-6
0.475
VLA-UNK-61877630-10
0.475
PET-UNK-eeb64427-3
0.474
PET-UNK-eeb64427-6
0.474
ALP-POS-ecbed2ba-11
0.472
EDJ-MED-4138fde9-7
0.471
ALP-POS-ecbed2ba-8
0.471
EDJ-MED-8bb691af-4
0.469
MAT-POS-c7726e07-5
0.469
MAT-POS-c7726e07-6
0.469
LUO-POS-868e8996-12
0.469
LUO-POS-868e8996-11
0.469
ALP-POS-133e7cd9-2
0.467
MAT-POS-a9372f04-1
0.467
EDJ-MED-6b23330e-2
0.466
ALP-POS-c3a90b22-7
0.466
EDJ-MED-159244ea-1
0.463
ALP-POS-477dc5b7-4
0.463
MAT-POS-983b399a-1
0.463
ALP-POS-ecbed2ba-22
0.463
ALP-POS-ecbed2ba-15
0.463
MAT-POS-50a80394-2
0.463
MIK-ENA-be04d1d4-1
0.463
MIK-ENA-e143773d-1
0.463
MIK-ENA-edcfce18-1
0.463
MIK-ENA-0547b12c-1
0.463
MAT-POS-69786b79-3
0.462
EDJ-MED-cc48ee33-3
0.462
LUO-POS-f7b1afe6-1
0.462
ALP-POS-01611061-2
0.462
ALP-POS-133e7cd9-1
0.461
VLA-UNK-3bd6fc51-1
0.460
LUO-POS-f7b1afe6-2
0.458
MAT-POS-50a80394-8
0.458
ALP-POS-01611061-1
0.458
EDJ-MED-6b23330e-6
0.458
JAG-UCB-f37eaa14-3
0.458
MIK-ENA-4a1c9a78-1
0.458
VLA-UNK-5d8210f0-5
0.458
MIK-ENA-1494235a-1
0.458
MIK-ENA-4ed700b1-1
0.458
MAT-POS-566864e2-4
0.457
MAT-POS-69786b79-1
0.457
MAT-POS-576f7758-1
0.457
LUO-POS-e1dab717-1
0.457
ALP-POS-ecbed2ba-7
0.457
MAT-POS-566864e2-3
0.457
PET-UNK-7e9559de-4
0.454
MAT-POS-e75f6e44-4
0.454
EDJ-MED-6b23330e-5
0.454
PET-UNK-7e9559de-1
0.454
MAT-POS-96396902-1
0.454
EDJ-MED-a12e3a20-1
0.454
EDJ-MED-7e491f08-1
0.454