Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 458.08 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 99.68 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-0047eae5-1
0.795
MAT-POS-acfe5bae-3
0.769
PET-UNK-8f269638-2
0.722
PET-UNK-8f269638-1
0.722
EDJ-MED-968bafd9-1
0.710
EDJ-MED-eb111c00-1
0.700
MIC-UNK-91acba05-2
0.700
ALP-POS-c56c1477-3
0.683
EDJ-MED-eb111c00-4
0.677
MAT-POS-acfe5bae-4
0.663
TET-ENA-df1c4375-1
0.663
RAL-THA-5e0a6f1a-1
0.663
PET-UNK-f860268d-2
0.653
PET-UNK-f860268d-5
0.653
ALP-POS-b3e0acc5-1
0.650
MIC-UNK-482af05e-4
0.649
EDJ-MED-eb111c00-3
0.646
PET-UNK-4d432d33-2
0.646
PET-UNK-4d432d33-6
0.646
MAT-POS-a54ce14d-2
0.643
MAT-POS-acfe5bae-2
0.643
EDJ-MED-015fb6b4-2
0.643
EDJ-MED-12c4873b-4
0.643
LUO-POS-3f66b338-1
0.643
EDJ-MED-43f8f7d6-1
0.643
MAT-POS-a54ce14d-3
0.643
EDJ-MED-eb111c00-2
0.640
PET-UNK-4d432d33-1
0.639
PET-UNK-4d432d33-5
0.639
DAR-DIA-0f2f46c9-14
0.633
DAR-DIA-0f2f46c9-13
0.633
PET-UNK-c7ac4d9e-1
0.630
MAT-POS-e2d70d27-1
0.630
PET-UNK-c7ac4d9e-2
0.630
MIC-UNK-482af05e-3
0.626
ALP-POS-d054b76b-1
0.621
JOH-UNI-6b98e24c-2
0.618
LUO-POS-8701f4c8-1
0.618
LUO-POS-868e8996-3
0.618
EDJ-MED-c99b2211-2
0.618
EDJ-MED-12c4873b-2
0.618
EDJ-MED-43f8f7d6-2
0.618
RAL-THA-a9c31980-1
0.618
RAL-THA-a9c31980-4
0.618
LUO-POS-868e8996-4
0.618
MAT-POS-4223bc15-2
0.616
EDJ-MED-cc48ee33-1
0.615
EDJ-MED-43f8f7d6-8
0.614
RAL-THA-8f106089-4
0.614
EDJ-MED-12c4873b-6
0.614
EDJ-MED-43f8f7d6-7
0.614
EDJ-MED-12c4873b-8
0.614
RAL-THA-8f106089-1
0.614
RAL-THA-8f106089-2
0.614
RAL-THA-8f106089-3
0.614
EDJ-MED-43f8f7d6-3
0.612
RAL-THA-a9c31980-3
0.612
JOH-UNI-6b98e24c-1
0.612
RAL-THA-a9c31980-5
0.606
EDJ-MED-c99b2211-1
0.600
RAL-THA-a9c31980-2
0.600
EDJ-MED-43f8f7d6-4
0.596
PET-UNK-37251634-7
0.594
PET-UNK-37251634-15
0.594
RAL-THA-a9c31980-6
0.590
RAL-THA-a9c31980-9
0.589
EDJ-MED-cc48ee33-6
0.589
PET-UNK-37251634-1
0.585
PET-UNK-37251634-9
0.585
PET-UNK-37251634-16
0.585
PET-UNK-37251634-8
0.585
PET-UNK-37251634-2
0.579
PET-UNK-37251634-3
0.579
EDJ-MED-43f8f7d6-6
0.579
PET-UNK-37251634-14
0.579
RAL-THA-a9c31980-8
0.579
PET-UNK-37251634-4
0.579
PET-UNK-37251634-6
0.579
PET-UNK-37251634-10
0.579
PET-UNK-37251634-11
0.579
PET-UNK-37251634-12
0.579
PET-UNK-d62a9a75-1
0.574
PET-UNK-37251634-5
0.574
PET-UNK-d62a9a75-3
0.574
PET-UNK-d62a9a75-4
0.574
PET-UNK-d62a9a75-2
0.574
PET-UNK-37251634-13
0.574
MAR-UCB-6ab2ec87-7
0.567
DAR-DIA-0f2f46c9-5
0.566
DAR-DIA-0f2f46c9-4
0.566
DAR-DIA-0f2f46c9-6
0.566
MAT-POS-4223bc15-18
0.564
EDJ-MED-827e7cb4-2
0.562
MAT-POS-dd3ad2b5-4
0.560
MAT-POS-24589f88-2
0.560
MAT-POS-24589f88-3
0.560
MAR-UCB-6ab2ec87-6
0.557
MAT-POS-5cd9ea36-19
0.557
RAL-THA-ee48ba5f-2
0.557
MAT-POS-5cd9ea36-20
0.557