Molecular Properties | |
SMILES: | CC(=O)N1CCN(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1 |
MW: | 422.15 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 65.54 |
cLogP: | 3.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
NIR-THE-590dedc7-1
1.000
NAU-LAT-a5c7d7cb-2
1.000
MIC-UNK-5a93dd5f-10
1.000
MIC-UNK-5a93dd5f-8
0.744
MIC-UNK-5a93dd5f-6
0.738
MIC-UNK-5a93dd5f-4
0.738
MIC-UNK-5a93dd5f-1
0.711
MIC-UNK-5a93dd5f-2
0.711
MIC-UNK-5a93dd5f-9
0.698
MIC-UNK-5a93dd5f-5
0.693
MIC-UNK-5a93dd5f-7
0.685
MIC-UNK-5a93dd5f-11
0.682
MIC-UNK-5a93dd5f-3
0.667
MIC-UNK-5a93dd5f-12
0.634
NAU-LAT-a5c7d7cb-3
0.627
VLA-UCB-05e51b3f-2
0.627
VLA-UNK-9a7dc93f-7
0.617
EDJ-MED-cf4b0d25-4
0.595
MIC-UNK-d36ab305-1
0.573
JOH-UNI-ee5ed7c8-6
0.563
JOH-UNI-3fc3434e-6
0.563
MIC-UNK-d36ab305-4
0.549
MIC-UNK-c66144cb-3
0.537
ALP-POS-3b848b35-4
0.537
MAK-UNK-ffc90da7-7
0.527
PET-UNK-1320d94d-8
0.525
PET-UNK-1320d94d-7
0.525
NAU-LAT-a5c7d7cb-6
0.523
MIC-UNK-c66144cb-2
0.521
MIC-UNK-cdc2493e-17
0.516
MAK-UNK-c749d764-6
0.516
MAK-UNK-ffc90da7-1
0.516
MIC-UNK-c66144cb-1
0.516
EDJ-MED-ee07cf00-4
0.515
NAU-LAT-a5c7d7cb-1
0.506
VLA-UCB-05e51b3f-1
0.506
NIR-THE-d08c3b48-1
0.506
ALP-POS-6747fa38-1
0.506
BEN-DND-6de5dfa0-11
0.506
EDJ-MED-cf4b0d25-1
0.505
PET-UNK-1320d94d-27
0.505
PET-UNK-1320d94d-28
0.505
MIC-UNK-cdc2493e-18
0.500
PET-UNK-1320d94d-5
0.500
PET-UNK-1320d94d-6
0.500
PET-UNK-1320d94d-25
0.500
PET-UNK-1320d94d-26
0.500
EDJ-MED-cf4b0d25-3
0.500
PET-UNK-1320d94d-22
0.495
PET-UNK-1320d94d-21
0.495
MAK-UNK-f481d203-3
0.494
MAK-UNK-f481d203-4
0.494
MAK-UNK-919546f0-2
0.494
PET-UNK-10339a1d-1
0.491
ALP-POS-a9ad2217-2
0.491
MAT-POS-7174c657-5
0.491
MAT-POS-8293a91a-2
0.491
MAT-POS-7174c657-6
0.491
EDJ-MED-ee07cf00-11
0.491
MAT-POS-a13804f0-4
0.491
PET-UNK-ac320b15-5
0.491
PET-UNK-ac320b15-6
0.491
PET-UNK-ac320b15-7
0.491
PET-UNK-ac320b15-8
0.491
PET-UNK-ac320b15-9
0.491
PET-UNK-ac320b15-10
0.491
MAT-POS-8293a91a-6
0.491
MAT-POS-8293a91a-7
0.491
MAK-UNK-c749d764-22
0.490
MAK-UNK-ffc90da7-4
0.490
NAU-LAT-2fed8305-1
0.488
ADA-UCB-6c2cb422-1
0.488
PET-UNK-1320d94d-10
0.486
PET-UNK-1320d94d-9
0.486
PET-UNK-1320d94d-1
0.485
PET-UNK-1320d94d-2
0.485
MAT-POS-fce787c2-11
0.483
PET-UNK-1320d94d-23
0.482
PET-UNK-1320d94d-24
0.482
PET-UNK-1320d94d-29
0.482
PET-UNK-1320d94d-30
0.482
EDJ-MED-ee07cf00-18
0.481
EDJ-MED-cf4b0d25-5
0.480
PET-UNK-1320d94d-3
0.477
PET-UNK-1320d94d-4
0.477
EDJ-MED-cf4b0d25-2
0.477
MAT-POS-de59a476-1
0.477
MAT-POS-1f3f1a6f-1
0.477
MAT-POS-fce787c2-3
0.477
MAT-POS-fce787c2-4
0.477
EDJ-MED-ee07cf00-13
0.477
MAT-POS-a13804f0-1
0.477
EDJ-MED-ee07cf00-7
0.477
EDJ-MED-ee07cf00-1
0.472
MAT-POS-d8472c4f-2
0.472
ALP-POS-f13221e1-3
0.471
EDJ-MED-ee07cf00-9
0.463
DAR-DIA-0cde14eb-57
0.462
DAR-DIA-0cde14eb-56
0.462
EDJ-MED-ee07cf00-10
0.462