Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 458.08 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 108.47 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
MIC-UNK-54748b58-3
0.745
MIC-UNK-54748b58-4
0.740
PET-UNK-5ad1c31a-2
0.734
PET-UNK-5ad1c31a-7
0.734
PET-UNK-5ad1c31a-8
0.734
PET-UNK-5ad1c31a-1
0.734
ALP-POS-a577c8a2-2
0.714
ALP-POS-a577c8a2-3
0.686
EDJ-MED-9537a89a-3
0.673
MAT-POS-8293a91a-4
0.594
MAT-POS-4223bc15-23
0.594
MAT-POS-8293a91a-5
0.594
MAT-POS-a54ce14d-2
0.588
MAT-POS-a54ce14d-3
0.588
MAT-POS-acfe5bae-2
0.588
EDJ-MED-015fb6b4-2
0.588
MAT-POS-2e8b2191-7
0.583
PET-UNK-022eab87-1
0.579
MAT-POS-af1eef35-3
0.571
EDJ-MED-e18764cb-2
0.571
ALP-POS-a577c8a2-1
0.571
BEN-DND-d6f8d3c6-1
0.571
MAT-POS-66a736cf-1
0.567
MIC-UNK-91acba05-3
0.567
LUO-POS-868e8996-13
0.567
MAR-UCB-6ab2ec87-6
0.567
LUO-POS-868e8996-14
0.567
EDJ-MED-9537a89a-2
0.564
MIC-UNK-91acba05-2
0.556
EDJ-MED-eb111c00-1
0.556
CLI-TLC-3a13eaf2-1
0.552
BEN-DND-f2e727cd-6
0.550
MAT-POS-dd3ad2b5-1
0.550
DAR-DIA-9f765dc6-8
0.547
DAR-DIA-9f765dc6-9
0.547
MAT-POS-e119ab4f-5
0.547
DAR-DIA-9f765dc6-7
0.547
MIK-ENA-f5fe7855-1
0.547
MIK-ENA-d22671f7-1
0.547
MIK-ENA-e76e31f3-1
0.547
LUO-POS-868e8996-1
0.547
LUO-POS-868e8996-2
0.547
MAR-UCB-6ab2ec87-7
0.545
RAL-THA-8416115c-10
0.543
RAL-THA-6e4c80cf-1
0.539
MAT-POS-4223bc15-19
0.539
MAT-POS-dd3ad2b5-5
0.538
DAR-DIA-9f765dc6-10
0.538
DAR-DIA-9f765dc6-11
0.538
DAR-DIA-9f765dc6-12
0.538
RAL-THA-6e4c80cf-2
0.538
MAT-POS-4223bc15-20
0.538
MAT-POS-4223bc15-24
0.538
LUO-POS-868e8996-4
0.537
RAL-THA-a9c31980-1
0.537
RAL-THA-a9c31980-4
0.537
LUO-POS-868e8996-3
0.537
JOH-UNI-ededfdb6-1
0.537
EDJ-MED-c99b2211-2
0.537
ALP-POS-d054b76b-1
0.535
PET-UNK-f860268d-2
0.534
PET-UNK-f860268d-5
0.534
EDJ-MED-12c4873b-3
0.533
RAL-THA-ee48ba5f-5
0.533
RAL-THA-5e0a6f1a-1
0.533
DAR-DIA-d8bd013f-4
0.532
EDJ-MED-43f8f7d6-3
0.532
DAR-DIA-d8bd013f-2
0.532
JOH-UNI-6b98e24c-1
0.532
RAL-THA-a9c31980-3
0.532
EDJ-MED-c82a5324-1
0.532
EDJ-MED-9537a89a-1
0.530
MAT-POS-4223bc15-25
0.529
EDJ-MED-eb111c00-3
0.529
MAT-POS-4223bc15-21
0.529
EDJ-MED-c40d95bc-2
0.529
MIC-UNK-482af05e-3
0.528
EDJ-MED-12c4873b-4
0.528
EDJ-MED-43f8f7d6-1
0.528
LUO-POS-3f66b338-1
0.528
EDJ-MED-eb111c00-4
0.528
EDJ-MED-12c4873b-1
0.528
MAT-POS-4223bc15-29
0.528
EDJ-MED-fa7708b3-1
0.528
EDJ-MED-eb111c00-2
0.528
RAL-THA-ee48ba5f-1
0.528
MIC-UNK-54748b58-2
0.527
PET-UNK-9b23ef84-2
0.524
MAT-POS-24589f88-3
0.524
MAT-POS-dd3ad2b5-2
0.524
MAT-POS-dd3ad2b5-4
0.524
MAT-POS-24589f88-2
0.524
EDJ-MED-e9a22d5d-1
0.524
MAT-POS-4223bc15-1
0.524
MAT-POS-4223bc15-6
0.524
MAT-POS-4223bc15-22
0.523
ALP-POS-b3e0acc5-1
0.523
LUO-POS-8701f4c8-1
0.523
EDJ-MED-12c4873b-2
0.523
EDJ-MED-43f8f7d6-2
0.523