Molecular Properties | |
SMILES: | CC(C)(C)[S+]([O-])N1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 455.11 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
charged oxygen or sulfur atoms
Cations
Filter22_sulfonium_salt
quaternary
Hetero_hetero
N-S_(not_sulfonamides)
Tri_Pentavalent_S
MIC-UNK-91acba05-2
0.692
EDJ-MED-eb111c00-1
0.692
EDJ-MED-43f8f7d6-1
0.670
LUO-POS-3f66b338-1
0.670
EDJ-MED-12c4873b-4
0.670
EDJ-MED-0047eae5-1
0.656
PET-UNK-4d432d33-5
0.649
PET-UNK-4d432d33-1
0.649
PET-UNK-f860268d-2
0.646
PET-UNK-f860268d-5
0.646
EDJ-MED-c99b2211-2
0.644
RAL-THA-a9c31980-4
0.644
PET-UNK-c7ac4d9e-1
0.640
PET-UNK-c7ac4d9e-2
0.640
EDJ-MED-eb111c00-3
0.639
PET-UNK-4d432d33-2
0.639
PET-UNK-4d432d33-6
0.639
MAT-POS-acfe5bae-3
0.636
MAT-POS-a54ce14d-2
0.636
MAT-POS-acfe5bae-2
0.636
EDJ-MED-015fb6b4-2
0.636
EDJ-MED-eb111c00-4
0.636
MAT-POS-a54ce14d-3
0.636
EDJ-MED-0047eae5-2
0.630
JOH-UNI-6b98e24c-2
0.627
MIC-UNK-482af05e-4
0.626
RAL-THA-5e0a6f1a-1
0.624
EDJ-MED-43f8f7d6-4
0.621
MIC-UNK-482af05e-3
0.620
EDJ-MED-eb111c00-2
0.618
LUO-POS-868e8996-3
0.612
LUO-POS-868e8996-4
0.612
EDJ-MED-12c4873b-2
0.612
EDJ-MED-43f8f7d6-2
0.612
LUO-POS-8701f4c8-1
0.612
RAL-THA-a9c31980-1
0.612
ALP-POS-b3e0acc5-1
0.612
EDJ-MED-12c4873b-8
0.608
RAL-THA-8f106089-3
0.608
EDJ-MED-12c4873b-6
0.608
EDJ-MED-43f8f7d6-7
0.608
EDJ-MED-43f8f7d6-8
0.608
RAL-THA-8f106089-1
0.608
RAL-THA-8f106089-2
0.608
RAL-THA-8f106089-4
0.608
JOH-UNI-6b98e24c-1
0.606
EDJ-MED-43f8f7d6-3
0.606
RAL-THA-a9c31980-3
0.606
RAL-THA-a9c31980-5
0.600
EDJ-MED-cc48ee33-1
0.594
PET-UNK-37251634-9
0.594
PET-UNK-37251634-8
0.594
PET-UNK-37251634-16
0.594
RAL-THA-a9c31980-2
0.594
EDJ-MED-c99b2211-1
0.594
PET-UNK-37251634-1
0.594
PET-UNK-37251634-6
0.589
PET-UNK-37251634-14
0.589
RAL-THA-a9c31980-8
0.589
EDJ-MED-43f8f7d6-6
0.589
RAL-THA-a9c31980-6
0.585
PET-UNK-8f269638-1
0.585
PET-UNK-8f269638-2
0.585
EDJ-MED-cc48ee33-6
0.583
PET-UNK-37251634-5
0.583
PET-UNK-37251634-13
0.583
EDJ-MED-968bafd9-1
0.578
PET-UNK-37251634-4
0.574
PET-UNK-37251634-15
0.574
PET-UNK-37251634-2
0.574
PET-UNK-37251634-3
0.574
PET-UNK-37251634-7
0.574
PET-UNK-37251634-10
0.574
PET-UNK-37251634-11
0.574
PET-UNK-37251634-12
0.574
PET-UNK-d62a9a75-2
0.569
ALP-POS-c56c1477-3
0.569
RAL-THA-a9c31980-9
0.569
PET-UNK-d62a9a75-1
0.569
PET-UNK-d62a9a75-3
0.569
PET-UNK-d62a9a75-4
0.569
DAR-DIA-0f2f46c9-12
0.556
TET-ENA-df1c4375-1
0.554
MAT-POS-acfe5bae-4
0.554
MAR-UCB-6ab2ec87-6
0.551
MIC-UNK-91acba05-1
0.545
MAT-POS-22e8b45a-1
0.545
MAT-POS-865c3497-1
0.545
MAR-UCB-6ab2ec87-7
0.545
ROB-UNI-322e8f70-3
0.545
MAT-POS-865c3497-2
0.545
ALP-POS-a577c8a2-2
0.545
MAT-POS-dd3ad2b5-1
0.535
BEN-DND-f2e727cd-6
0.535
ALP-POS-d054b76b-1
0.535
MAT-POS-4223bc15-27
0.533
PET-UNK-d61f3ea6-2
0.533
EDJ-MED-12c4873b-3
0.533
PET-UNK-9b23ef84-2
0.524
MAT-POS-24589f88-3
0.524