Molecular Properties | |
SMILES: | CN1Cc2cc(Cl)c(Cl)cc2[C@H](C(=O)Nc2cncc3ccccc23)C1 |
MW: | 385.07 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-3ccb8ef6-1
BEN-DND-a02b439d-15
1.000
BEN-DND-34fc7f90-4
0.735
BEN-DND-a02b439d-2
0.733
MAT-POS-dd3ad2b5-1
0.726
BEN-DND-f2e727cd-6
0.726
BEN-DND-34fc7f90-3
0.718
BEN-DND-a02b439d-1
0.705
BEN-DND-a02b439d-3
0.700
BEN-DND-a02b439d-11
0.685
PET-UNK-9b23ef84-3
0.620
BEN-DND-a02b439d-14
0.602
MAT-POS-64942dd0-3
0.589
EDJ-MED-cf877e1d-1
0.571
MAR-UCB-6ab2ec87-6
0.560
MAT-POS-4223bc15-27
0.557
EDJ-MED-eb111c00-1
0.548
MIC-UNK-91acba05-2
0.548
MAT-POS-dd3ad2b5-2
0.547
MAT-POS-dd3ad2b5-4
0.547
MAT-POS-dd3ad2b5-3
0.547
RAL-THA-6e4c80cf-1
0.547
MAT-POS-4223bc15-19
0.547
PET-UNK-9b23ef84-2
0.547
MAT-POS-24589f88-2
0.547
MAT-POS-24589f88-3
0.547
MIC-UNK-8758c41d-1
0.543
PET-UNK-d61f3ea6-2
0.541
EDJ-MED-12c4873b-3
0.541
RAL-THA-ee48ba5f-5
0.541
MIC-UNK-54748b58-3
0.540
PET-UNK-9b23ef84-10
0.538
MAR-UCB-6ab2ec87-7
0.538
ALP-POS-a577c8a2-2
0.537
MAT-POS-4223bc15-18
0.536
MAT-POS-4223bc15-41
0.535
MAT-POS-4223bc15-1
0.531
MAT-POS-4223bc15-6
0.531
EDJ-MED-1b5395f9-6
0.531
EDJ-MED-1b5395f9-5
0.531
MAT-POS-dd3ad2b5-5
0.531
MAT-POS-4223bc15-3
0.531
EDJ-MED-1b5395f9-4
0.531
MAT-POS-4223bc15-22
0.530
EDJ-MED-7f6e5b75-1
0.529
ALF-EVA-b701bd13-4
0.527
MAT-POS-4223bc15-23
0.525
MAT-POS-8293a91a-5
0.525
MAT-POS-4223bc15-2
0.525
MAT-POS-4223bc15-26
0.525
MAT-POS-8293a91a-4
0.525
MAT-POS-4223bc15-7
0.525
MAT-POS-4223bc15-28
0.525
PET-UNK-9b23ef84-7
0.524
PET-UNK-9b23ef84-15
0.524
ALF-EVA-0e90125c-2
0.524
MIC-UNK-8758c41d-3
0.521
ALP-POS-fe871b40-16
0.521
VLA-UNK-56836b69-1
0.521
EDJ-MED-c40d95bc-2
0.520
MAT-POS-61f37a1a-12
0.520
PET-UNK-162c14b2-1
0.520
MAT-POS-4223bc15-25
0.520
MAT-POS-4223bc15-21
0.520
RAL-THA-ee48ba5f-4
0.520
MAT-POS-4223bc15-13
0.520
RAL-THA-ee48ba5f-1
0.520
EDJ-MED-fa7708b3-1
0.520
EDJ-MED-1981ceba-5
0.519
BEN-DND-32596b04-2
0.519
ALP-POS-869ac754-1
0.516
RAL-THA-05e671eb-2
0.516
RYA-UNI-6d7114fd-1
0.516
EDJ-MED-e9a22d5d-1
0.515
MAT-POS-4223bc15-17
0.515
CLI-TLC-3a13eaf2-1
0.515
MAT-POS-4223bc15-20
0.515
RAL-THA-6e4c80cf-2
0.515
MIC-UNK-482af05e-1
0.515
MAT-POS-4223bc15-24
0.515
MAT-POS-61f37a1a-2
0.515
MAT-POS-4223bc15-9
0.515
RAL-THA-ee48ba5f-2
0.515
MAT-POS-5cd9ea36-3
0.515
MAT-UNK-f490e871-1
0.515
EDJ-MED-4fff0a85-2
0.514
ALP-UNI-3735e77e-4
0.511
MAT-POS-f9802937-8
0.511
MAT-POS-f9802937-9
0.511
MAT-POS-78e1d523-6
0.511
MIC-UNK-8758c41d-2
0.511
MAT-POS-78e1d523-5
0.511
BEN-DND-a02b439d-4
0.511
ALF-EVA-b701bd13-6
0.510
ALP-POS-d054b76b-1
0.510
MIC-UNK-482af05e-2
0.510
MAT-POS-5cd9ea36-2
0.510
MAT-POS-5cd9ea36-17
0.510
MAT-POS-4223bc15-15
0.510
EDJ-MED-015fb6b4-3
0.510
MAT-POS-4223bc15-34
0.510