Molecule Details
| Molecular Properties | |
| SMILES: | COc1cccc2[nH]c(C(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12 |
| MW: | 510.15 |
| Fraction sp3: | 0.14 |
| HBA: | 4 |
| HBD: | 2 |
| Rotatable Bonds: | 4 |
| TPSA: | 87.32 |
| cLogP: | 5.76 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![COc1cccc2[nH]c(S(=O)(=O)N3Cc4ccc(Cl)cc4[C@H](C(=O)Nc4cncc5ccccc45)C3)cc12](/static/images/loading.7a8cbb7079d7.gif)
VLA-UNK-5b0345c3-4
0.681
MAT-POS-4223bc15-19
0.680
RAL-THA-6e4c80cf-1
0.680
MAT-POS-4223bc15-37
0.658
MAT-POS-dd3ad2b5-2
0.648
PET-UNK-9b23ef84-2
0.648
MAT-POS-4223bc15-41
0.645
MAT-POS-4223bc15-18
0.636
MAT-POS-dd3ad2b5-3
0.632
MAT-POS-dd3ad2b5-5
0.630
RAL-THA-6e4c80cf-2
0.627
MAT-POS-4223bc15-20
0.627
MAT-POS-4223bc15-40
0.623
MAT-POS-4223bc15-36
0.619
MAT-POS-4223bc15-17
0.615
MAT-POS-4223bc15-38
0.614
MAT-POS-4223bc15-39
0.612
MAT-POS-4223bc15-35
0.604
MAT-POS-be048f2c-1
0.602
MAT-POS-be048f2c-2
0.597
MAT-POS-4223bc15-33
0.593
MAT-POS-4223bc15-28
0.593
MAT-POS-be048f2c-4
0.592
MAT-POS-be048f2c-3
0.588
ALF-EVA-0e90125c-1
0.586
MAT-POS-4223bc15-22
0.584
MAT-POS-dd3ad2b5-1
0.583
BEN-DND-f2e727cd-6
0.583
MAT-POS-8293a91a-4
0.580
MAT-POS-8293a91a-5
0.580
MAT-POS-4223bc15-23
0.580
MAT-POS-4223bc15-27
0.580
MAT-POS-4223bc15-21
0.577
EDJ-MED-c40d95bc-2
0.577
ALF-EVA-0e90125c-2
0.576
RAL-THA-6e4c80cf-4
0.575
MAT-POS-dd3ad2b5-4
0.573
MAT-POS-24589f88-2
0.573
MAT-POS-24589f88-3
0.573
VLA-UNK-5b0345c3-2
0.571
MAT-POS-4223bc15-3
0.571
CLI-TLC-3a13eaf2-1
0.570
MIC-UNK-482af05e-2
0.566
RAL-THA-ee48ba5f-5
0.566
MAT-POS-4223bc15-26
0.566
MAT-POS-61f37a1a-12
0.562
PET-UNK-162c14b2-1
0.562
MAT-POS-4223bc15-25
0.562
EDJ-MED-1981ceba-3
0.559
MAT-POS-4223bc15-1
0.558
EDJ-MED-e9a22d5d-1
0.558
MAT-POS-4223bc15-6
0.558
MIC-UNK-482af05e-1
0.557
MAT-POS-4223bc15-24
0.557
PET-UNK-af70882d-4
0.556
RAL-THA-ee48ba5f-2
0.556
JOH-UNI-ededfdb6-1
0.556
MAT-POS-5cd9ea36-20
0.556
MAT-POS-4223bc15-4
0.555
RAL-THA-6e4c80cf-3
0.553
EDJ-MED-12c4873b-3
0.553
MAT-POS-4223bc15-2
0.553
PET-UNK-d61f3ea6-2
0.553
MAT-POS-4223bc15-15
0.552
MAT-POS-5cd9ea36-15
0.551
MAT-POS-4223bc15-34
0.551
RAL-THA-ee48ba5f-4
0.548
MAT-POS-4223bc15-13
0.548
DAR-DIA-d8bd013f-1
0.547
DAR-DIA-d8bd013f-3
0.547
RAL-THA-ee48ba5f-1
0.547
MAT-POS-5cd9ea36-14
0.547
MAT-UNK-35705829-1
0.547
EDJ-MED-fa7708b3-1
0.547
EDJ-MED-76744c27-2
0.545
EDJ-MED-76744c27-7
0.545
EDJ-MED-fa7708b3-3
0.545
BEN-DND-32596b04-7
0.543
PET-UNK-af70882d-3
0.542
MAT-UNK-f490e871-1
0.542
MAT-UNK-04ae9652-1
0.542
MAT-POS-61f37a1a-2
0.542
MAT-POS-4223bc15-9
0.542
MAT-POS-4223bc15-8
0.542
MAT-POS-bf364d7a-8
0.541
MAT-POS-bf364d7a-7
0.541
ALF-EVA-07677224-7
0.541
EDJ-MED-76744c27-4
0.541
MAT-POS-5cd9ea36-17
0.538
MAT-POS-4223bc15-5
0.538
MAT-POS-4223bc15-7
0.538
DAR-DIA-d8bd013f-8
0.538
MAT-POS-5cd9ea36-16
0.538
RAL-THA-952697e1-1
0.538
RAL-THA-952697e1-2
0.538
DAR-DIA-d8bd013f-4
0.538
DAR-DIA-d8bd013f-2
0.538
DAR-DIA-d8bd013f-7
0.538
EDJ-MED-12c4873b-7
0.538
EDJ-MED-c82a5324-1
0.538