Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)[C@@H]3CN(CC#N)C(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 468.07 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 120.23 |
cLogP: | 2.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-c671f938-3
1.000
EDJ-MED-41558c53-10
0.806
EDJ-MED-41558c53-12
0.789
PET-UNK-c671f938-2
0.787
PET-UNK-c671f938-6
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PET-UNK-c671f938-4
0.773
MAT-POS-2e8b2191-12
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PET-UNK-c671f938-8
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EDJ-MED-0186a59b-7
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EDJ-MED-41558c53-14
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EDJ-MED-e69ed63d-12
0.758
EDJ-MED-d165ed91-4
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EDJ-MED-c99b2211-4
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EDJ-MED-41558c53-8
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EDJ-MED-e69ed63d-8
0.750
PET-UNK-3324058f-7
0.745
PET-UNK-3324058f-3
0.745
EDJ-MED-e69ed63d-2
0.743
PET-UNK-c671f938-5
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PET-UNK-c671f938-1
0.737
EDJ-MED-e69ed63d-4
0.735
EDJ-MED-41558c53-6
0.728
EDJ-MED-e69ed63d-14
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EDJ-MED-e69ed63d-16
0.728
EDJ-MED-c99b2211-3
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EDJ-MED-e69ed63d-10
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EDJ-MED-d165ed91-3
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EDJ-MED-e69ed63d-5
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EDJ-MED-e69ed63d-18
0.714
EDJ-MED-d165ed91-1
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EDJ-MED-41558c53-2
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EDJ-MED-d165ed91-6
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PET-UNK-4d432d33-6
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PET-UNK-4d432d33-2
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EDJ-MED-d165ed91-5
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EDJ-MED-d165ed91-2
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EDJ-MED-41558c53-4
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EDJ-MED-968bafd9-2
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EDJ-MED-41558c53-7
0.631
EDJ-MED-41558c53-9
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PET-UNK-4d432d33-1
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PET-UNK-4d432d33-5
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EDJ-MED-41558c53-11
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LUO-POS-edefcc0e-1
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EDJ-MED-0186a59b-6
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LUO-POS-74179f4f-1
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MAT-POS-b4d6b7fc-2
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EDJ-MED-ede277f6-6
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EDJ-MED-eb111c00-4
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EDJ-MED-41558c53-13
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PET-UNK-3324058f-4
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PET-UNK-3324058f-8
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EDJ-MED-ede277f6-2
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PET-UNK-3324058f-6
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EDJ-MED-827e7cb4-3
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PET-UNK-3324058f-2
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EDJ-MED-ce467fd5-1
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EDJ-MED-378a25ea-9
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EDJ-MED-7889e8da-6
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EDG-MED-e300b289-3
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MAT-POS-b4d6b7fc-4
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EDJ-MED-0186a59b-5
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MAT-POS-e119ab4f-1
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MAT-POS-c7726e07-1
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MAT-POS-c7726e07-2
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EDJ-MED-0186a59b-3
0.578
EDJ-MED-e69ed63d-11
0.578
EDJ-MED-7889e8da-5
0.578
EDG-MED-e300b289-2
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EDJ-MED-41558c53-5
0.574
ALP-POS-b3e0acc5-1
0.570
EDG-MED-e300b289-1
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EDJ-MED-e69ed63d-7
0.564
EDJ-MED-eb111c00-3
0.563
EDJ-MED-ede277f6-12
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EDJ-MED-e69ed63d-1
0.559
PET-UNK-3324058f-1
0.558
PET-UNK-3324058f-5
0.558
EDG-MED-ee636701-1
0.555
ERI-UCB-8d4e5055-3
0.553
PET-UNK-f860268d-2
0.553
PET-UNK-f860268d-5
0.553
MAT-POS-7ddaf7de-2
0.553
EDJ-MED-ede277f6-8
0.553
MAT-POS-5c19d660-1
0.553
MIC-UNK-482af05e-4
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RAL-THA-5e0a6f1a-1
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EDJ-MED-e69ed63d-13
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EDJ-MED-e69ed63d-15
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MAT-POS-acfe5bae-2
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MAT-POS-a54ce14d-2
0.547
MAT-POS-a54ce14d-3
0.547
EDJ-MED-015fb6b4-2
0.547
EDJ-MED-827e7cb4-2
0.546
EDJ-MED-e69ed63d-3
0.545
EDJ-MED-93390d0c-2
0.543
EDJ-MED-41558c53-1
0.543
EDJ-MED-c99b2211-2
0.541
RAL-THA-a9c31980-4
0.541
JOH-UNI-d2a12aa9-2
0.539