Molecular Properties | |
SMILES: | CN(C)C1CCC(N(C(=O)Nc2cncc3ccccc23)c2cccc(Cl)c2)CC1 |
MW: | 422.19 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 48.47 |
cLogP: | 5.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-cdc2493e-20
0.835
MIC-UNK-cdc2493e-12
0.800
MIC-UNK-cdc2493e-9
0.771
MIC-UNK-cdc2493e-17
0.765
MIC-UNK-cdc2493e-21
0.729
MIC-UNK-cdc2493e-13
0.716
MIC-UNK-cdc2493e-4
0.714
MIC-UNK-cdc2493e-5
0.714
MIC-UNK-cdc2493e-10
0.701
MIC-UNK-cdc2493e-6
0.699
MIC-UNK-cdc2493e-18
0.698
MIC-UNK-cdc2493e-8
0.659
MIC-UNK-cdc2493e-7
0.656
MIC-UNK-cdc2493e-14
0.645
MIC-UNK-cdc2493e-1
0.554
MIC-UNK-bcd487e9-1
0.544
FRA-DIA-13af2da5-1
0.544
MIC-UNK-d36ab305-5
0.544
MIC-UNK-bcd487e9-3
0.543
MIC-UNK-5a93dd5f-8
0.543
VLA-UCB-05e51b3f-14
0.543
EDJ-MED-c314995a-1
0.543
MIC-UNK-bcd487e9-2
0.532
MIC-UNK-cdc2493e-3
0.527
MIC-UNK-bcd487e9-6
0.521
MIC-UNK-bcd487e9-4
0.521
PET-UNK-a17c93d1-1
0.520
MIC-UNK-d36ab305-2
0.516
VLA-UCB-34f3ed0c-6
0.515
MIC-UNK-cdc2493e-19
0.511
MIC-UNK-cdc2493e-15
0.510
MIC-UNK-cdc2493e-2
0.510
ADA-UCB-dc2b944c-18
0.505
MIC-UNK-bcd487e9-10
0.500
ADA-UCB-dc2b944c-6
0.495
MIC-UNK-5a93dd5f-9
0.495
MIC-UNK-cdc2493e-24
0.495
MIC-UNK-bcd487e9-7
0.495
MIC-UNK-bcd487e9-8
0.495
MIC-UNK-cdc2493e-23
0.495
MIC-UNK-bcd487e9-5
0.495
MIC-UNK-bcd487e9-9
0.490
VLA-UCB-34f3ed0c-13
0.485
MIC-UNK-5a93dd5f-6
0.480
VLA-UCB-34f3ed0c-7
0.480
MIC-UNK-cdc2493e-16
0.480
NAU-LAT-2fed8305-1
0.477
ALP-POS-f13221e1-3
0.477
ADA-UCB-6c2cb422-1
0.477
VLA-UCB-34f3ed0c-5
0.475
NAU-LAT-2fed8305-2
0.467
MIC-UNK-cdc2493e-22
0.465
RYA-UNI-14580791-1
0.464
MIC-UNK-d36ab305-4
0.459
NAU-LAT-2fed8305-7
0.457
ALP-POS-f13221e1-2
0.451
ALP-POS-ddb41b15-6
0.449
MIC-UNK-5a93dd5f-7
0.448
EDJ-MED-cf4b0d25-4
0.447
BEN-DND-d1eb1f41-6
0.447
VLA-UNK-9a7dc93f-7
0.446
PET-UNK-1320d94d-21
0.443
PET-UNK-1320d94d-22
0.443
ALP-POS-d7944b10-15
0.438
ADA-UCB-dc2b944c-3
0.433
ADA-UCB-dc2b944c-17
0.433
DAR-DIA-2964957d-9
0.432
MAT-POS-1f3f1a6f-2
0.430
ADA-UCB-dc2b944c-2
0.430
NIR-THE-590dedc7-1
0.429
MIC-UNK-6ab519a7-1
0.429
MIC-UNK-5a93dd5f-10
0.429
NAU-LAT-a5c7d7cb-2
0.429
RAL-THA-2d450e86-27
0.429
ALF-EVA-650655fc-1
0.426
MIC-UNK-5a93dd5f-1
0.426
MIC-UNK-5a93dd5f-2
0.426
MIC-UNK-df9dcda8-2
0.424
RAL-THA-05e671eb-3
0.424
MIC-UNK-5a93dd5f-4
0.423
ALP-POS-3b848b35-4
0.423
MIC-UNK-c66144cb-3
0.423
PET-UNK-1320d94d-1
0.422
PET-UNK-1320d94d-2
0.422
MAT-POS-5cd9ea36-20
0.422
MAT-POS-fce787c2-2
0.420
EDJ-MED-e4b030d8-1
0.420
MAT-POS-8e4737f4-1
0.420
DAR-DIA-6a508060-10
0.420
EDJ-MED-e4b030d8-13
0.420
VLA-UCB-1dbca3b4-14
0.420
MAT-POS-2905de8c-3
0.420
MAR-UCB-6ab2ec87-7
0.420
MIC-UNK-d36ab305-1
0.420
BEN-DND-a7517465-4
0.420
VLA-UCB-1dbca3b4-16
0.420
EDJ-MED-ee07cf00-4
0.419
RAL-THA-4aa06b95-4
0.419
DAR-DIA-0d514e7d-34
0.418
DAR-DIA-0d514e7d-35
0.418