Molecular Properties | |
SMILES: | CNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 498.18 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 74.33 |
cLogP: | 4.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
DAR-DIA-d8bd013f-10
1.000
DAR-DIA-d8bd013f-4
0.816
DAR-DIA-d8bd013f-2
0.816
EDJ-MED-c82a5324-1
0.816
DAR-DIA-d8bd013f-11
0.761
DAR-DIA-d8bd013f-12
0.761
DAR-DIA-d8bd013f-14
0.741
DAR-DIA-d8bd013f-13
0.741
DAR-DIA-d8bd013f-7
0.712
DAR-DIA-d8bd013f-8
0.712
DAR-DIA-d8bd013f-3
0.709
DAR-DIA-d8bd013f-1
0.709
MAT-POS-5cd9ea36-14
0.709
DAR-DIA-d8bd013f-5
0.705
DAR-DIA-d8bd013f-6
0.705
MAT-POS-8293a91a-5
0.623
MAT-POS-8293a91a-4
0.623
MAT-POS-4223bc15-23
0.623
VLA-UNK-5b0345c3-3
0.619
PET-UNK-9b23ef84-2
0.615
MAT-POS-dd3ad2b5-2
0.615
MAT-POS-dd3ad2b5-5
0.613
MAT-POS-dd3ad2b5-1
0.612
BEN-DND-f2e727cd-6
0.612
CLI-TLC-3a13eaf2-1
0.611
EDJ-MED-12c4873b-3
0.607
MAT-POS-4223bc15-21
0.604
EDJ-MED-c40d95bc-2
0.604
BEN-DND-fa51d92c-23
0.602
EDJ-MED-c40d95bc-1
0.600
RAL-THA-6e4c80cf-1
0.600
MAT-POS-24589f88-3
0.600
MAT-POS-dd3ad2b5-4
0.600
MAT-POS-4223bc15-19
0.600
MAT-POS-24589f88-2
0.600
CLI-TLC-36f34aa2-1
0.598
EDJ-MED-e9a22d5d-1
0.598
MAT-POS-4223bc15-1
0.598
MAT-POS-4223bc15-6
0.598
VLA-UNK-5b0345c3-2
0.596
MAT-POS-4223bc15-22
0.596
EDJ-MED-76744c27-5
0.595
MIC-UNK-482af05e-2
0.593
MAT-POS-4223bc15-27
0.593
RAL-THA-ee48ba5f-5
0.593
MAT-POS-4223bc15-28
0.591
PET-UNK-162c14b2-1
0.589
MAT-POS-61f37a1a-12
0.589
MAT-POS-4223bc15-18
0.589
MAT-POS-4223bc15-25
0.589
MAT-POS-4223bc15-35
0.587
MAT-POS-4223bc15-29
0.586
EDJ-MED-fa7708b3-1
0.586
RAL-THA-ee48ba5f-1
0.586
EDJ-MED-12c4873b-1
0.586
MAT-POS-dd3ad2b5-3
0.585
RAL-THA-6e4c80cf-2
0.582
MAT-POS-4223bc15-20
0.582
MAT-POS-4223bc15-24
0.582
MIC-UNK-482af05e-1
0.582
MAT-UNK-f490e871-1
0.580
JOH-UNI-ededfdb6-1
0.580
MAT-UNK-04ae9652-1
0.580
MAT-POS-4223bc15-2
0.578
MAT-POS-4223bc15-26
0.578
PET-UNK-d61f3ea6-2
0.578
MAT-POS-5cd9ea36-2
0.577
MAT-POS-4223bc15-33
0.577
MAT-POS-5cd9ea36-17
0.577
RAL-THA-ee48ba5f-4
0.573
BRU-THA-98e973b9-1
0.573
BRU-THA-d60fe444-1
0.573
MAT-POS-4223bc15-13
0.573
MAT-UNK-35705829-1
0.571
EDJ-MED-76744c27-3
0.571
MAT-POS-5cd9ea36-4
0.571
MAT-POS-4223bc15-3
0.569
MAT-POS-4223bc15-17
0.569
MAT-POS-5cd9ea36-13
0.566
MAT-POS-5cd9ea36-3
0.566
RAL-THA-ee48ba5f-2
0.566
PET-UNK-af70882d-3
0.566
PET-UNK-af70882d-4
0.566
MAT-POS-5cd9ea36-19
0.566
MAT-POS-5cd9ea36-20
0.566
EDJ-MED-7f6e5b75-1
0.566
MAT-POS-dd1fff26-1
0.565
MAT-POS-4223bc15-4
0.565
PET-UNK-5ba9a1cb-3
0.565
MAT-POS-5cd9ea36-10
0.565
MAT-POS-dd1fff26-2
0.565
MAT-POS-4223bc15-5
0.562
MAT-POS-5cd9ea36-15
0.561
MAT-POS-5cd9ea36-16
0.561
NIR-WEI-dcc3321b-6
0.560
MAT-POS-4223bc15-41
0.558
MAT-POS-5cd9ea36-24
0.558
EDJ-MED-1981ceba-5
0.557
BEN-DND-32596b04-2
0.557
PET-UNK-de87a406-1
0.557