Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc2c(NC(=O)C3CN(CC(=O)NCC#N)Cc4ccc(Cl)cc43)cncc2c1 |
MW: | 511.11 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 132.26 |
cLogP: | 2.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
cyanohydrin
N-C-Hal or cyano methyl
cyanamide
EDJ-MED-0186a59b-3
0.828
EDJ-MED-7889e8da-5
0.828
EDJ-MED-ede277f6-8
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EDJ-MED-ede277f6-4
0.777
MAT-POS-5cd9ea36-15
0.745
EDJ-MED-7889e8da-3
0.680
EDJ-MED-0186a59b-2
0.680
MAT-POS-b4d6b7fc-1
0.658
EDJ-MED-7889e8da-6
0.652
EDJ-MED-378a25ea-9
0.652
EDJ-MED-ede277f6-2
0.640
EDJ-MED-4f4dd660-1
0.637
ALP-POS-1460fd94-1
0.634
ALP-POS-6f6ae286-5
0.633
BEN-DND-f06bfa8e-2
0.633
EDJ-MED-7889e8da-1
0.633
EDJ-MED-0186a59b-1
0.633
MAT-POS-b4d6b7fc-3
0.632
EDJ-MED-4f4dd660-3
0.626
EDJ-MED-ede277f6-5
0.625
MAT-POS-8293a91a-5
0.607
MAT-POS-4223bc15-23
0.607
MAT-POS-8293a91a-4
0.607
EDJ-MED-c82a5324-3
0.607
EDJ-MED-4f4dd660-5
0.607
MAT-POS-5c19d660-1
0.603
PET-UNK-c6bcc80b-9
0.600
PET-UNK-c6bcc80b-2
0.600
EDJ-MED-ede277f6-12
0.598
EDJ-MED-ede277f6-7
0.596
PET-UNK-c671f938-3
0.595
PET-UNK-c671f938-7
0.595
MAT-POS-4223bc15-25
0.589
MAT-POS-4223bc15-22
0.582
JOH-UNI-ededfdb6-1
0.580
MAT-POS-4223bc15-21
0.574
EDJ-MED-c40d95bc-2
0.574
EDJ-MED-e69ed63d-8
0.573
MAT-POS-4223bc15-24
0.568
MAT-POS-5cd9ea36-13
0.566
EDJ-MED-c82a5324-2
0.565
MAT-POS-2e8b2191-10
0.564
RAL-THA-ee48ba5f-5
0.564
EDJ-MED-378a25ea-11
0.563
EDJ-MED-0186a59b-7
0.560
NIR-WEI-dcc3321b-6
0.560
MAT-POS-2e8b2191-12
0.560
MAT-POS-61f37a1a-12
0.560
PET-UNK-162c14b2-1
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EDJ-MED-e69ed63d-14
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EDJ-MED-e69ed63d-16
0.558
MAT-POS-13080fc6-6
0.551
EDJ-MED-d165ed91-4
0.551
EDJ-MED-c99b2211-4
0.551
EDJ-MED-e69ed63d-12
0.551
EDJ-MED-e69ed63d-4
0.550
EDJ-MED-e69ed63d-18
0.549
RAL-THA-ee48ba5f-4
0.545
EDJ-MED-e69ed63d-2
0.542
EDJ-MED-e69ed63d-5
0.541
EDJ-MED-d165ed91-3
0.541
EDJ-MED-e69ed63d-10
0.541
NIR-WEI-dcc3321b-4
0.540
EDJ-MED-41558c53-10
0.539
RAL-THA-ee48ba5f-2
0.539
EDJ-MED-54fbebd8-4
0.536
PET-UNK-03fd2068-4
0.536
EDJ-MED-be9e6f63-4
0.534
EDJ-MED-7889e8da-4
0.534
MAT-POS-97ec4bd1-3
0.534
EDJ-MED-c99b2211-3
0.533
MAT-UNK-35705829-1
0.530
EDJ-MED-fa7708b3-1
0.530
RAL-THA-ee48ba5f-1
0.530
EDJ-MED-41558c53-12
0.530
EDJ-MED-e9a22d5d-1
0.527
MIC-UNK-51049f1a-4
0.526
MAT-POS-4223bc15-27
0.522
MAT-POS-4223bc15-28
0.522
EDJ-MED-c40d95bc-1
0.521
EDJ-MED-378a25ea-25
0.520
EDJ-MED-be9e6f63-3
0.520
MAT-POS-c7726e07-7
0.520
MAT-POS-c7726e07-8
0.520
MAT-POS-5cd9ea36-24
0.517
RAL-THA-ee48ba5f-6
0.517
MAT-POS-13080fc6-5
0.517
EDJ-MED-d165ed91-5
0.517
EDJ-MED-41558c53-14
0.517
RAL-THA-ee48ba5f-3
0.517
EDJ-MED-378a25ea-21
0.516
MAT-POS-dd3ad2b5-4
0.514
MAT-POS-24589f88-3
0.514
MAT-POS-24589f88-2
0.514
MAT-POS-4223bc15-6
0.513
MAT-UNK-f490e871-1
0.513
EDJ-MED-009f762b-5
0.513
EDJ-MED-41558c53-8
0.512
NIR-WEI-dcc3321b-5
0.512
MAT-POS-4223bc15-26
0.509