Molecule Details
| Molecular Properties | |
| SMILES: | CC(C)n1nccc1C(=O)N1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3ccccc23)C1 |
| MW: | 473.16 |
| Fraction sp3: | 0.23 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 80.12 |
| cLogP: | 5.04 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-4223bc15-40
0.772
MAT-POS-be048f2c-1
0.743
MAT-POS-4223bc15-41
0.733
MAT-POS-be048f2c-4
0.729
MAT-POS-be048f2c-3
0.726
MAT-POS-4223bc15-37
0.712
MAT-POS-4223bc15-19
0.704
RAL-THA-6e4c80cf-1
0.704
MAT-POS-4223bc15-18
0.690
PET-UNK-9b23ef84-2
0.687
MAT-POS-dd3ad2b5-2
0.687
MAT-POS-4223bc15-38
0.679
MAT-POS-dd3ad2b5-3
0.670
MAT-POS-4223bc15-36
0.670
MAT-POS-dd3ad2b5-5
0.667
MAT-POS-4223bc15-39
0.661
MAT-POS-4223bc15-17
0.650
RAL-THA-6e4c80cf-2
0.648
MAT-POS-4223bc15-20
0.648
MAT-POS-4223bc15-35
0.638
MAT-POS-4223bc15-33
0.626
ALF-EVA-0e90125c-1
0.618
MAT-POS-dd3ad2b5-1
0.618
BEN-DND-f2e727cd-6
0.618
PET-UNK-d61f3ea6-2
0.613
ALF-EVA-0e90125c-2
0.607
MAT-POS-dd3ad2b5-4
0.606
MAT-POS-24589f88-3
0.606
MAT-POS-24589f88-2
0.606
RAL-THA-6e4c80cf-4
0.605
EDJ-MED-76744c27-5
0.600
MIC-UNK-482af05e-2
0.598
VLA-UNK-5b0345c3-1
0.597
MAT-POS-4223bc15-21
0.594
EDJ-MED-c40d95bc-2
0.594
MAT-POS-5cd9ea36-4
0.591
DAR-DIA-d8bd013f-1
0.591
DAR-DIA-d8bd013f-3
0.591
MAT-POS-5cd9ea36-14
0.591
MAT-POS-4223bc15-3
0.589
MAT-POS-4223bc15-6
0.589
MAT-POS-4223bc15-1
0.589
VLA-UNK-5b0345c3-2
0.588
MIC-UNK-482af05e-1
0.587
MAT-POS-5cd9ea36-19
0.586
MAT-POS-4223bc15-32
0.586
JOH-UNI-ededfdb6-1
0.586
JOH-SUS-07b743f6-7
0.584
MAT-POS-4223bc15-2
0.583
MAT-POS-4223bc15-23
0.583
MAT-POS-4223bc15-27
0.583
MAT-POS-8293a91a-4
0.583
MAT-POS-8293a91a-5
0.583
EDJ-MED-12c4873b-3
0.583
RAL-THA-ee48ba5f-5
0.583
MAT-POS-4223bc15-7
0.582
MAT-POS-4223bc15-28
0.582
RAL-THA-6e4c80cf-3
0.581
PET-UNK-d61f3ea6-3
0.580
DAR-DIA-d8bd013f-7
0.580
DAR-DIA-d8bd013f-8
0.580
EDJ-MED-12c4873b-7
0.580
RAL-THA-952697e1-1
0.580
RAL-THA-952697e1-2
0.580
PET-UNK-162c14b2-1
0.579
MAT-POS-61f37a1a-12
0.579
MAT-POS-4223bc15-25
0.579
JOH-SUS-07b743f6-4
0.579
BRU-THA-98e973b9-1
0.578
MAT-POS-4223bc15-13
0.578
MAT-UNK-35705829-1
0.577
DAR-DIA-d8bd013f-5
0.575
DAR-DIA-d8bd013f-6
0.575
EDJ-MED-e9a22d5d-1
0.574
CLI-TLC-3a13eaf2-1
0.573
MAT-POS-4223bc15-22
0.573
MAT-POS-4223bc15-24
0.573
PET-UNK-af70882d-4
0.571
EDJ-MED-7f6e5b75-1
0.571
MAT-POS-5cd9ea36-20
0.571
MAT-UNK-f490e871-1
0.571
MAT-POS-4223bc15-30
0.570
ALF-EVA-07677224-7
0.569
ALF-EVA-07677224-8
0.569
EDJ-MED-76744c27-4
0.569
MAT-POS-bf364d7a-7
0.569
MAT-POS-bf364d7a-8
0.569
MAT-POS-4223bc15-26
0.569
MAT-POS-5cd9ea36-17
0.568
MAT-POS-4223bc15-15
0.568
DAR-DIA-d8bd013f-4
0.566
MAT-POS-4223bc15-34
0.566
EDJ-MED-c82a5324-1
0.566
ALF-EVA-07677224-3
0.566
DAR-DIA-d8bd013f-2
0.566
XIA-UNK-284f966f-1
0.565
ALF-EVA-07677224-4
0.565
PET-UNK-94036022-1
0.565
ANN-CHE-e1757302-5
0.565
PET-UNK-94036022-8
0.565