Molecular Properties | |
SMILES: | CC1(CS(=O)(=O)N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccc(C(C)(C)O)cc45)C3=O)C2)CC1 |
MW: | 553.18 |
Fraction sp3: | 0.45 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.81 |
cLogP: | 4.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-853c0ffa-12
0.822
MAT-POS-853c0ffa-11
0.822
MAT-POS-853c0ffa-21
0.774
ALP-POS-ecbed2ba-3
0.743
MAT-POS-853c0ffa-19
0.695
MAT-POS-853c0ffa-22
0.673
EDJ-MED-b6c6ee2b-4
0.652
ALP-POS-ecbed2ba-1
0.649
MAT-POS-853c0ffa-17
0.646
MAT-POS-853c0ffa-18
0.646
MAT-POS-853c0ffa-14
0.632
MAT-POS-853c0ffa-13
0.624
PET-UNK-94036022-10
0.619
PET-UNK-94036022-3
0.619
EDJ-MED-3707c4bc-2
0.619
EDJ-MED-5cd3920d-2
0.617
EDJ-MED-b6c6ee2b-3
0.617
MIK-ENA-60569a44-1
0.617
MIK-ENA-bb7b6957-1
0.617
ALP-POS-ecbed2ba-6
0.612
EDJ-MED-5cd3920d-6
0.612
VLA-UNK-61877630-10
0.612
MAT-POS-38eb6498-2
0.610
PET-UNK-94036022-2
0.609
PET-UNK-94036022-9
0.609
EDJ-MED-3707c4bc-1
0.605
ALP-POS-ecbed2ba-4
0.603
EDJ-MED-8bb691af-6
0.603
MIK-ENA-5d9157e9-1
0.603
MIK-ENA-5d9157e9-2
0.603
EDJ-MED-5cd3920d-5
0.598
EDJ-MED-ee81482e-2
0.595
ALP-POS-ecbed2ba-8
0.593
ALP-POS-ecbed2ba-13
0.593
MAT-POS-1a788f51-1
0.592
EDJ-MED-4138fde9-7
0.592
EDJ-MED-accc2c4d-3
0.591
MAT-POS-853c0ffa-10
0.591
EDJ-MED-5cd3920d-1
0.589
LUO-POS-8484f2d3-2
0.586
MIK-ENA-7066949b-1
0.586
MAT-POS-853c0ffa-9
0.586
MAT-POS-38eb6498-1
0.586
LUO-POS-8484f2d3-1
0.586
MIK-ENA-8063e9dc-1
0.586
ALP-POS-ecbed2ba-15
0.583
ALP-POS-ecbed2ba-22
0.583
MAT-POS-1a788f51-2
0.583
MAT-POS-40ad851a-4
0.581
EDJ-MED-accc2c4d-1
0.581
MAT-POS-1a788f51-4
0.580
EDJ-MED-ee81482e-1
0.579
EDJ-MED-4138fde9-1
0.578
MAT-POS-40ad851a-3
0.577
EDJ-MED-7587a9ee-3
0.577
EDJ-MED-ee81482e-3
0.576
ALP-POS-ecbed2ba-2
0.573
MAT-POS-40ad851a-2
0.573
LUO-POS-d1147590-1
0.569
EDJ-MED-4138fde9-8
0.568
EDJ-MED-4138fde9-9
0.567
ALP-POS-ecbed2ba-11
0.565
MAT-POS-1a788f51-3
0.561
PET-UNK-c6bcc80b-11
0.559
PET-UNK-c6bcc80b-4
0.559
ALP-POS-ecbed2ba-5
0.558
EDJ-MED-468565e0-1
0.557
EDJ-MED-ee81482e-5
0.557
EDJ-MED-468565e0-5
0.557
MAT-POS-853c0ffa-16
0.556
MAT-POS-853c0ffa-15
0.556
EDJ-MED-ee81482e-4
0.553
MAT-POS-40ad851a-5
0.549
LUO-POS-ed2cfb03-2
0.548
EDJ-MED-468565e0-4
0.545
EDJ-MED-4138fde9-2
0.544
MAT-POS-40ad851a-1
0.540
ALP-POS-ecbed2ba-20
0.539
ALP-POS-ecbed2ba-18
0.538
ALP-POS-ecbed2ba-19
0.537
EDJ-MED-468565e0-2
0.537
EDJ-MED-468565e0-3
0.533
LUO-POS-ed2cfb03-1
0.529
MAT-POS-853c0ffa-7
0.528
MAT-POS-853c0ffa-8
0.528
EDJ-MED-accc2c4d-4
0.525
MAT-POS-853c0ffa-6
0.520
ALP-POS-ecbed2ba-17
0.520
LUO-POS-e1dab717-3
0.517
ALP-POS-ecbed2ba-10
0.516
MAT-POS-853c0ffa-5
0.516
MAT-POS-1d5ab790-1
0.516
ALP-POS-ecbed2ba-21
0.512
ALP-POS-133e7cd9-2
0.512
PET-UNK-df7eb4e6-3
0.512
PET-UNK-df7eb4e6-7
0.512
MAT-POS-ddfe83c6-6
0.508
ALP-POS-ecbed2ba-16
0.508
ALP-POS-ecbed2ba-9
0.500
EDJ-MED-accc2c4d-2
0.500