Molecular Properties | |
SMILES: | CN/C(F)=C/N1Cc2ccc(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 410.13 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter52_NC_haloamine
N-C-Hal or cyano methyl
MAT-POS-dd3ad2b5-5
0.710
BEN-DND-f2e727cd-6
0.692
MAT-POS-dd3ad2b5-1
0.692
MAT-POS-8293a91a-4
0.684
MAT-POS-8293a91a-5
0.684
MAT-POS-4223bc15-23
0.684
EDJ-MED-12c4873b-3
0.684
MAT-POS-dd3ad2b5-4
0.677
MAT-POS-24589f88-2
0.677
MAT-POS-dd3ad2b5-2
0.677
MAT-POS-4223bc15-19
0.677
RAL-THA-6e4c80cf-1
0.677
PET-UNK-9b23ef84-2
0.677
MAT-POS-24589f88-3
0.677
DAR-DIA-d8bd013f-4
0.677
EDJ-MED-c82a5324-1
0.677
DAR-DIA-d8bd013f-2
0.677
MAT-POS-4223bc15-1
0.674
MAT-POS-5cd9ea36-14
0.673
DAR-DIA-d8bd013f-3
0.673
DAR-DIA-d8bd013f-1
0.673
PET-UNK-d61f3ea6-2
0.667
MAT-POS-4223bc15-18
0.663
DAR-DIA-d8bd013f-8
0.660
DAR-DIA-d8bd013f-7
0.660
MAT-POS-dd3ad2b5-3
0.660
RAL-THA-ee48ba5f-1
0.657
EDJ-MED-fa7708b3-1
0.657
MAT-POS-4223bc15-29
0.657
EDJ-MED-12c4873b-1
0.657
MAT-POS-4223bc15-6
0.656
MAT-POS-4223bc15-3
0.656
CLI-TLC-36f34aa2-1
0.653
DAR-DIA-d8bd013f-5
0.653
DAR-DIA-d8bd013f-6
0.653
MAT-POS-4223bc15-2
0.649
MAT-POS-4223bc15-26
0.649
MAT-POS-4223bc15-27
0.649
MIC-UNK-482af05e-2
0.649
RAL-THA-ee48ba5f-5
0.649
MAT-POS-4223bc15-28
0.646
PET-UNK-162c14b2-1
0.646
EDJ-MED-c40d95bc-2
0.646
MAT-POS-4223bc15-25
0.646
MAT-POS-4223bc15-21
0.646
MAT-POS-61f37a1a-12
0.646
BRU-THA-98e973b9-1
0.643
MAT-POS-4223bc15-13
0.643
BRU-THA-d60fe444-1
0.643
MAT-POS-4223bc15-17
0.639
EDJ-MED-e9a22d5d-1
0.639
MAT-POS-4223bc15-37
0.637
MAT-POS-4223bc15-24
0.636
MAT-POS-4223bc15-22
0.636
RAL-THA-6e4c80cf-2
0.636
MAT-POS-4223bc15-20
0.636
MIC-UNK-482af05e-1
0.636
MAT-POS-5cd9ea36-20
0.634
MAT-UNK-f490e871-1
0.634
MAT-UNK-04ae9652-1
0.634
MAT-POS-4223bc15-7
0.630
MAT-POS-4223bc15-15
0.630
MAT-POS-5cd9ea36-17
0.630
MAT-POS-4223bc15-35
0.626
RAL-THA-ee48ba5f-4
0.626
MAT-POS-5cd9ea36-4
0.624
MAT-UNK-35705829-1
0.624
MAT-POS-4223bc15-41
0.624
PET-UNK-de87a406-1
0.621
EDJ-MED-12c4873b-5
0.621
RAL-THA-952697e1-3
0.621
RAL-THA-952697e1-4
0.621
MAT-POS-777f5926-2
0.621
BEN-DND-32596b04-8
0.621
BEN-DND-32596b04-7
0.620
EDJ-MED-1981ceba-2
0.620
MAT-POS-61f37a1a-2
0.618
EDJ-MED-7f6e5b75-1
0.618
MAT-POS-4223bc15-9
0.618
PET-UNK-af70882d-3
0.618
MAT-POS-5cd9ea36-13
0.618
MAT-POS-5cd9ea36-19
0.618
JOH-UNI-ededfdb6-1
0.618
RAL-THA-ee48ba5f-2
0.618
PET-UNK-af70882d-4
0.618
EDJ-MED-76744c27-5
0.618
MAT-POS-4223bc15-10
0.615
DAR-DIA-4987d2cd-2
0.614
MAT-POS-4223bc15-33
0.614
MAT-POS-4223bc15-5
0.614
MAT-POS-5cd9ea36-2
0.614
PET-UNK-9b23ef84-6
0.612
MAT-POS-5cd9ea36-15
0.612
RAL-THA-952697e1-2
0.612
ALF-EVA-07677224-3
0.612
MAT-POS-5cd9ea36-16
0.612
PET-UNK-d61f3ea6-3
0.612
EDJ-MED-12c4873b-7
0.612
RAL-THA-952697e1-1
0.612
MAT-POS-4223bc15-34
0.612