Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2c(NC(=O)C3CN(CC#N)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 483.08 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 132.26 |
cLogP: | 2.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
Hetero_hetero
PET-UNK-c671f938-8
1.000
MAT-POS-b4d6b7fc-2
0.782
PET-UNK-c671f938-3
0.773
PET-UNK-c671f938-7
0.773
PET-UNK-c671f938-6
0.772
PET-UNK-c671f938-2
0.772
PET-UNK-3324058f-8
0.748
PET-UNK-3324058f-4
0.748
PET-UNK-c671f938-5
0.707
PET-UNK-c671f938-1
0.707
PET-UNK-4d432d33-2
0.684
PET-UNK-4d432d33-6
0.684
EDJ-MED-41558c53-7
0.638
EDJ-MED-41558c53-10
0.623
EDJ-MED-41558c53-9
0.620
MAT-POS-2e8b2191-11
0.613
EDJ-MED-41558c53-11
0.612
PET-UNK-4d432d33-1
0.612
PET-UNK-4d432d33-5
0.612
EDJ-MED-41558c53-12
0.611
MAT-POS-c7726e07-8
0.611
EDJ-MED-378a25ea-25
0.611
EDJ-MED-be9e6f63-3
0.611
MAT-POS-c7726e07-7
0.611
EDJ-MED-41558c53-8
0.604
LUO-POS-edefcc0e-1
0.600
EDJ-MED-0186a59b-7
0.600
EDJ-MED-0186a59b-6
0.600
MAT-POS-2e8b2191-12
0.600
LUO-POS-74179f4f-1
0.600
MAT-POS-b4d6b7fc-1
0.598
EDJ-MED-c4e42105-2
0.596
EDJ-MED-41558c53-14
0.595
EDJ-MED-c4e42105-1
0.590
EDJ-MED-d165ed91-4
0.589
EDJ-MED-c99b2211-4
0.589
EDJ-MED-e69ed63d-12
0.589
EDJ-MED-41558c53-13
0.585
EDJ-MED-eb111c00-4
0.585
EDJ-MED-e69ed63d-8
0.584
PET-UNK-3324058f-3
0.583
PET-UNK-3324058f-7
0.583
TET-ENA-382364b7-1
0.581
EDJ-MED-e69ed63d-2
0.579
EDJ-MED-e69ed63d-5
0.578
EDJ-MED-d165ed91-3
0.578
EDJ-MED-e69ed63d-4
0.574
EDJ-MED-e69ed63d-16
0.569
EDJ-MED-e69ed63d-14
0.569
EDJ-MED-41558c53-6
0.569
EDJ-MED-c99b2211-3
0.569
PET-UNK-3324058f-2
0.568
EDG-MED-e300b289-2
0.568
EDJ-MED-41558c53-5
0.568
PET-UNK-3324058f-6
0.568
EDG-MED-f9979214-1
0.565
EDJ-MED-e69ed63d-10
0.564
EDG-MED-e300b289-1
0.564
ALP-POS-b3e0acc5-1
0.564
EDG-MED-e300b289-3
0.562
MAT-POS-b4d6b7fc-4
0.560
EDJ-MED-e69ed63d-18
0.559
MAT-POS-c7726e07-2
0.559
EDJ-MED-0186a59b-5
0.559
MAT-POS-c7726e07-1
0.559
MAT-POS-e119ab4f-1
0.559
JOH-UNI-d2a12aa9-4
0.551
EDJ-MED-c4e42105-3
0.548
PET-UNK-f860268d-2
0.547
PET-UNK-f860268d-5
0.547
PET-UNK-c6bcc80b-3
0.547
JOH-UNI-d2a12aa9-2
0.547
PET-UNK-c6bcc80b-10
0.547
MIC-UNK-482af05e-4
0.546
RAL-THA-5e0a6f1a-1
0.545
PET-UNK-c7ac4d9e-2
0.545
PET-UNK-c7ac4d9e-1
0.545
EDJ-MED-e69ed63d-7
0.544
EDJ-MED-e69ed63d-11
0.544
EDJ-MED-eb111c00-3
0.542
MAT-POS-a54ce14d-3
0.541
EDJ-MED-015fb6b4-2
0.541
MAT-POS-a54ce14d-2
0.541
MAT-POS-acfe5bae-2
0.541
EDJ-MED-d165ed91-1
0.540
EDJ-MED-41558c53-2
0.540
EDJ-MED-e69ed63d-1
0.539
EDJ-MED-d165ed91-6
0.539
EDJ-MED-41558c53-1
0.537
MAT-POS-22373164-2
0.533
EDJ-MED-e69ed63d-6
0.530
EDJ-MED-e69ed63d-13
0.530
MIC-UNK-482af05e-3
0.527
EDJ-MED-eb111c00-2
0.527
EDJ-MED-ce467fd5-1
0.526
EDJ-MED-827e7cb4-3
0.526
EDJ-MED-e69ed63d-3
0.526
PET-UNK-3324058f-1
0.525
PET-UNK-3324058f-5
0.525
MAT-POS-22373164-3
0.525