Molecular Properties | |
SMILES: | CC(=O)N(C)C1CCN(C(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1 |
MW: | 450.18 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 65.54 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-5a93dd5f-8
0.841
MIC-UNK-5a93dd5f-7
0.795
MIC-UNK-5a93dd5f-4
0.750
MIC-UNK-5a93dd5f-9
0.750
NIR-THE-590dedc7-1
0.738
MIC-UNK-6ab519a7-1
0.738
NAU-LAT-a5c7d7cb-2
0.738
MIC-UNK-5a93dd5f-10
0.738
MIC-UNK-5a93dd5f-11
0.696
MIC-UNK-5a93dd5f-5
0.688
MIC-UNK-5a93dd5f-2
0.667
MIC-UNK-5a93dd5f-1
0.667
MIC-UNK-5a93dd5f-3
0.646
MIC-UNK-5a93dd5f-12
0.633
VLA-UNK-9a7dc93f-7
0.562
EDJ-MED-cf4b0d25-4
0.560
MIC-UNK-cdc2493e-20
0.557
MIC-UNK-d36ab305-1
0.526
MIC-UNK-c66144cb-3
0.525
ALP-POS-3b848b35-4
0.525
MIC-UNK-cdc2493e-17
0.520
MIC-UNK-d36ab305-4
0.520
PET-UNK-1320d94d-1
0.519
PET-UNK-1320d94d-2
0.519
JOH-UNI-ee5ed7c8-6
0.516
JOH-UNI-3fc3434e-6
0.516
MIC-UNK-cdc2493e-21
0.515
PET-UNK-1320d94d-21
0.514
PET-UNK-1320d94d-22
0.514
MIC-UNK-cdc2493e-18
0.505
EDJ-MED-cf4b0d25-3
0.505
EDJ-MED-ee07cf00-4
0.505
PET-UNK-1320d94d-25
0.505
PET-UNK-1320d94d-26
0.505
MAK-UNK-ffc90da7-7
0.500
ALP-POS-a9ad2217-2
0.496
PET-UNK-10339a1d-1
0.496
PET-UNK-1320d94d-27
0.495
PET-UNK-1320d94d-28
0.495
PET-UNK-1320d94d-5
0.491
PET-UNK-1320d94d-6
0.491
PET-UNK-1320d94d-23
0.487
PET-UNK-1320d94d-24
0.487
PET-UNK-1320d94d-29
0.487
PET-UNK-1320d94d-30
0.487
PET-UNK-1320d94d-7
0.486
PET-UNK-1320d94d-8
0.486
EDJ-MED-cf4b0d25-5
0.486
PET-UNK-ac320b15-7
0.482
PET-UNK-ac320b15-8
0.482
MAT-POS-8293a91a-2
0.482
MAT-POS-a13804f0-4
0.482
PET-UNK-ac320b15-6
0.482
PET-UNK-ac320b15-5
0.482
PET-UNK-ac320b15-9
0.482
PET-UNK-ac320b15-10
0.482
MAT-POS-8293a91a-6
0.482
MAT-POS-8293a91a-7
0.482
MAT-POS-7174c657-5
0.482
MAT-POS-7174c657-6
0.482
EDJ-MED-ee07cf00-11
0.482
MIC-UNK-c66144cb-2
0.480
MIC-UNK-cdc2493e-11
0.480
PET-UNK-1320d94d-9
0.478
PET-UNK-1320d94d-10
0.478
EDJ-MED-ee07cf00-1
0.477
MAK-UNK-ffc90da7-1
0.476
MAK-UNK-c749d764-6
0.476
MIC-UNK-c66144cb-1
0.476
EDJ-MED-ee07cf00-18
0.473
MIC-UNK-cdc2493e-12
0.471
PET-UNK-1320d94d-4
0.470
PET-UNK-1320d94d-3
0.470
EDJ-MED-ee07cf00-13
0.469
EDJ-MED-ee07cf00-7
0.469
MAT-POS-a13804f0-1
0.469
EDJ-MED-cf4b0d25-1
0.468
MAK-UNK-c749d764-22
0.468
MAK-UNK-ffc90da7-4
0.468
MAT-POS-d8472c4f-2
0.464
NAU-LAT-a5c7d7cb-3
0.459
VLA-UCB-05e51b3f-2
0.459
MIC-UNK-cdc2493e-9
0.457
EDJ-MED-cf4b0d25-2
0.457
EDJ-MED-ee07cf00-10
0.455
EDJ-MED-ee07cf00-6
0.453
EDJ-MED-ee07cf00-14
0.453
MIC-UNK-cdc2493e-10
0.453
MAT-POS-fce787c2-3
0.452
EDJ-MED-ee07cf00-16
0.451
MAK-UNK-919546f0-2
0.449
MAK-UNK-f481d203-4
0.449
MAK-UNK-f481d203-3
0.449
MAT-POS-1f3f1a6f-2
0.448
EDJ-MED-ee07cf00-15
0.447
NAU-LAT-2fed8305-1
0.447
ALP-POS-f13221e1-3
0.447
ADA-UCB-6c2cb422-1
0.446
MIC-UNK-cdc2493e-5
0.442
MIC-UNK-cdc2493e-4
0.442