Molecular Properties | |
SMILES: | O=C(N[C@H](C(=O)Nc1cncc2ccccc12)c1cccc(Cl)c1)[C@@H]1C[C@H](C(=O)N2CCCC2)O1 |
MW: | 492.16 |
Fraction sp3: | 0.31 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Dipeptide
PET-UNK-1320d94d-8
1.000
PET-UNK-1320d94d-17
0.798
PET-UNK-1320d94d-18
0.798
MAT-POS-a13804f0-4
0.794
EDJ-MED-ee07cf00-11
0.794
PET-UNK-ac320b15-5
0.794
PET-UNK-ac320b15-7
0.794
PET-UNK-ac320b15-8
0.794
PET-UNK-ac320b15-9
0.794
PET-UNK-ac320b15-10
0.794
MAT-POS-8293a91a-2
0.794
MAT-POS-8293a91a-6
0.794
MAT-POS-7174c657-5
0.794
PET-UNK-ac320b15-6
0.794
MAT-POS-8293a91a-7
0.794
MAT-POS-7174c657-6
0.794
PET-UNK-1320d94d-9
0.786
PET-UNK-1320d94d-10
0.786
PET-UNK-1320d94d-5
0.755
PET-UNK-1320d94d-6
0.755
EDJ-MED-cf4b0d25-3
0.680
PET-UNK-1320d94d-3
0.670
PET-UNK-1320d94d-4
0.670
PET-UNK-1320d94d-27
0.657
PET-UNK-1320d94d-28
0.657
EDJ-MED-cf4b0d25-2
0.654
EDJ-MED-cf4b0d25-4
0.648
ALP-POS-a9ad2217-1
0.642
PET-UNK-1320d94d-19
0.642
PET-UNK-1320d94d-20
0.642
PET-UNK-1320d94d-1
0.641
PET-UNK-1320d94d-2
0.641
PET-UNK-ac320b15-2
0.638
PET-UNK-ac320b15-1
0.638
EDJ-MED-cf4b0d25-1
0.629
EDJ-MED-ee07cf00-4
0.614
PET-UNK-1320d94d-16
0.607
PET-UNK-1320d94d-15
0.607
EDJ-MED-ee07cf00-6
0.589
ALP-POS-a9ad2217-2
0.580
PET-UNK-10339a1d-1
0.580
PET-UNK-1320d94d-29
0.570
PET-UNK-1320d94d-30
0.570
EDJ-MED-ee07cf00-13
0.568
MAT-POS-a13804f0-1
0.568
PET-UNK-1320d94d-25
0.549
PET-UNK-1320d94d-26
0.549
EDJ-MED-ee07cf00-14
0.548
EDJ-MED-ee07cf00-18
0.545
PET-UNK-1320d94d-14
0.544
PET-UNK-1320d94d-13
0.544
EDJ-MED-cf4b0d25-5
0.532
EDJ-MED-ee07cf00-10
0.527
EDJ-MED-ee07cf00-7
0.526
NIR-THE-590dedc7-1
0.525
NAU-LAT-a5c7d7cb-2
0.525
MIC-UNK-6ab519a7-1
0.525
MIC-UNK-5a93dd5f-10
0.525
EDJ-MED-ee07cf00-12
0.523
EDJ-MED-ee07cf00-1
0.522
MAT-POS-d8472c4f-2
0.522
EDJ-MED-ee07cf00-16
0.522
EDJ-MED-ee07cf00-17
0.522
EDJ-MED-ee07cf00-15
0.518
EDJ-MED-ee07cf00-9
0.513
PET-UNK-1320d94d-11
0.509
PET-UNK-1320d94d-12
0.509
EDJ-MED-ee07cf00-5
0.509
EDJ-MED-ee07cf00-2
0.508
MIC-UNK-5a93dd5f-11
0.505
MIC-UNK-5a93dd5f-4
0.500
MIC-UNK-5a93dd5f-8
0.500
EDJ-MED-ee07cf00-3
0.496
EDJ-MED-ee07cf00-8
0.496
PET-UNK-1320d94d-23
0.492
PET-UNK-1320d94d-24
0.492
PET-UNK-ac320b15-4
0.491
PET-UNK-ac320b15-3
0.491
MIC-UNK-5a93dd5f-1
0.491
MIC-UNK-5a93dd5f-2
0.491
MAT-POS-1f3f1a6f-3
0.490
MIC-UNK-5a93dd5f-12
0.487
MIC-UNK-5a93dd5f-5
0.486
MIC-UNK-5a93dd5f-9
0.486
MIC-UNK-5a93dd5f-6
0.486
VLA-UNK-9a7dc93f-7
0.485
MIC-UNK-5a93dd5f-3
0.482
PET-UNK-1320d94d-22
0.478
PET-UNK-1320d94d-21
0.478
JOH-UNI-3fc3434e-6
0.476
JOH-UNI-ee5ed7c8-6
0.476
ALP-POS-3b848b35-4
0.473
MIC-UNK-c66144cb-3
0.473
MIC-UNK-5a93dd5f-7
0.469
MIC-UNK-d36ab305-1
0.458
MAK-UNK-ffc90da7-7
0.450
MAT-POS-fce787c2-5
0.446
MIC-UNK-c66144cb-2
0.445
MAK-UNK-c749d764-6
0.441
MAK-UNK-ffc90da7-1
0.441