Molecular Properties | |
SMILES: | CC(=O)N(C)C1CCN(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)C1 |
MW: | 436.17 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-5a93dd5f-9
0.837
MIC-UNK-5a93dd5f-6
0.795
MIC-UNK-5a93dd5f-8
0.742
MIC-UNK-5a93dd5f-5
0.713
MIC-UNK-5a93dd5f-3
0.688
NAU-LAT-a5c7d7cb-2
0.685
MIC-UNK-6ab519a7-1
0.685
MIC-UNK-5a93dd5f-10
0.685
NIR-THE-590dedc7-1
0.685
MIC-UNK-5a93dd5f-4
0.681
MIC-UNK-5a93dd5f-2
0.674
MIC-UNK-5a93dd5f-12
0.657
MIC-UNK-5a93dd5f-1
0.656
MIC-UNK-5a93dd5f-11
0.633
VLA-UNK-9a7dc93f-7
0.538
EDJ-MED-cf4b0d25-4
0.537
MIC-UNK-d36ab305-1
0.505
ALP-POS-3b848b35-4
0.505
MIC-UNK-c66144cb-3
0.505
MIC-UNK-d36ab305-4
0.500
EDJ-MED-ee07cf00-4
0.500
PET-UNK-1320d94d-1
0.500
PET-UNK-1320d94d-2
0.500
PET-UNK-1320d94d-21
0.495
PET-UNK-1320d94d-22
0.495
MIC-UNK-cdc2493e-20
0.490
PET-UNK-1320d94d-25
0.487
PET-UNK-1320d94d-26
0.487
EDJ-MED-cf4b0d25-3
0.486
MIC-UNK-cdc2493e-18
0.486
MIC-UNK-cdc2493e-17
0.485
MIC-UNK-cdc2493e-21
0.481
JOH-UNI-ee5ed7c8-6
0.480
JOH-UNI-3fc3434e-6
0.480
ALP-POS-a9ad2217-2
0.479
PET-UNK-10339a1d-1
0.479
PET-UNK-1320d94d-27
0.478
PET-UNK-1320d94d-28
0.478
PET-UNK-1320d94d-5
0.474
PET-UNK-1320d94d-6
0.474
PET-UNK-1320d94d-23
0.471
PET-UNK-1320d94d-24
0.471
PET-UNK-1320d94d-29
0.471
PET-UNK-1320d94d-30
0.471
PET-UNK-1320d94d-8
0.469
PET-UNK-1320d94d-7
0.469
EDJ-MED-cf4b0d25-5
0.468
MAK-UNK-ffc90da7-7
0.467
EDJ-MED-ee07cf00-11
0.466
MAT-POS-8293a91a-2
0.466
MAT-POS-7174c657-6
0.466
MAT-POS-a13804f0-1
0.466
EDJ-MED-ee07cf00-13
0.466
MAT-POS-a13804f0-4
0.466
PET-UNK-ac320b15-8
0.466
MAT-POS-8293a91a-6
0.466
PET-UNK-ac320b15-10
0.466
PET-UNK-ac320b15-5
0.466
PET-UNK-ac320b15-6
0.466
PET-UNK-ac320b15-7
0.466
PET-UNK-ac320b15-9
0.466
MAT-POS-8293a91a-7
0.466
MAT-POS-7174c657-5
0.466
MIC-UNK-c66144cb-2
0.462
PET-UNK-1320d94d-10
0.462
PET-UNK-1320d94d-9
0.462
MIC-UNK-c66144cb-1
0.458
MAK-UNK-ffc90da7-1
0.458
MAK-UNK-c749d764-6
0.458
EDJ-MED-ee07cf00-18
0.457
PET-UNK-1320d94d-3
0.454
PET-UNK-1320d94d-4
0.454
MAK-UNK-c749d764-22
0.452
MAK-UNK-ffc90da7-4
0.452
EDJ-MED-cf4b0d25-1
0.452
EDJ-MED-ee07cf00-1
0.448
MAT-POS-d8472c4f-2
0.448
MIC-UNK-cdc2493e-11
0.448
MAT-POS-1f3f1a6f-2
0.444
NAU-LAT-2fed8305-1
0.443
EDJ-MED-cf4b0d25-2
0.442
EDJ-MED-ee07cf00-7
0.441
EDJ-MED-ee07cf00-10
0.440
MIC-UNK-cdc2493e-12
0.439
EDJ-MED-ee07cf00-6
0.438
MAT-POS-fce787c2-3
0.433
ALP-POS-ddb41b15-6
0.433
EDJ-MED-ee07cf00-15
0.432
MAK-UNK-f481d203-3
0.430
MAK-UNK-919546f0-2
0.430
MAK-UNK-f481d203-4
0.430
ALP-POS-f13221e1-3
0.429
MIC-UNK-cdc2493e-9
0.427
NAU-LAT-a5c7d7cb-3
0.427
VLA-UCB-05e51b3f-2
0.427
ADA-UCB-6c2cb422-1
0.427
EDJ-MED-ee07cf00-14
0.426
MIC-UNK-cdc2493e-5
0.426
EDJ-MED-ee07cf00-16
0.424
MIC-UNK-cdc2493e-10
0.423