Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCOC12CN(Cc1nncs1)Cc1ccc(Cl)cc12 |
MW: | 477.1 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 71.45 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7e9559de-6
1.000
PET-UNK-7e9559de-1
0.664
MAT-POS-96396902-1
0.664
PET-UNK-7e9559de-4
0.664
PET-UNK-7e9559de-2
0.652
PET-UNK-7e9559de-5
0.652
EDJ-MED-7587a9ee-4
0.645
PET-UNK-77d5678a-1
0.583
PET-UNK-77d5678a-4
0.583
PET-UNK-6af7266d-1
0.538
PET-UNK-6af7266d-3
0.538
PET-UNK-14142a25-4
0.521
PET-UNK-14142a25-13
0.521
PET-UNK-14142a25-5
0.496
PET-UNK-14142a25-14
0.496
PET-UNK-eeb64427-3
0.484
PET-UNK-eeb64427-6
0.484
PET-UNK-6af7266d-2
0.472
PET-UNK-6af7266d-4
0.472
VLA-UNK-3bd6fc51-1
0.458
EDJ-MED-7587a9ee-3
0.458
MAT-POS-a9372f04-1
0.451
LUO-POS-e1dab717-19
0.450
EDJ-MED-7587a9ee-2
0.450
EDJ-MED-8bb691af-4
0.443
MAT-POS-c7726e07-5
0.443
LUO-POS-868e8996-11
0.443
MAT-POS-c7726e07-6
0.443
LUO-POS-868e8996-12
0.443
ALP-POS-ecbed2ba-18
0.440
ALP-POS-ecbed2ba-20
0.438
ALP-POS-133e7cd9-1
0.435
LUO-POS-f7b1afe6-3
0.434
MAT-POS-e75f6e44-12
0.434
MAT-POS-e75f6e44-1
0.433
MIK-ENA-4a1c9a78-1
0.433
MIK-ENA-1494235a-1
0.433
MIK-ENA-4ed700b1-1
0.433
EDJ-MED-40e596c8-1
0.432
EDJ-MED-8bb691af-3
0.431
EDJ-MED-6b23330e-7
0.430
ALP-POS-ecbed2ba-19
0.430
EDJ-MED-6b23330e-2
0.430
ALP-POS-c3a90b22-7
0.430
EDJ-MED-3707c4bc-2
0.429
ALP-POS-c3a90b22-6
0.429
VLA-UNK-5d8210f0-4
0.429
MAT-POS-50a80394-5
0.427
LUO-POS-f7b1afe6-4
0.427
MAT-POS-50a80394-7
0.427
ALP-POS-ecbed2ba-17
0.426
EDJ-MED-5cd3920d-5
0.426
MAT-POS-e75f6e44-17
0.426
PET-UNK-aa57768f-2
0.426
PET-UNK-aa57768f-8
0.426
MAT-POS-69786b79-3
0.425
PET-UNK-aa57768f-7
0.425
PET-UNK-aa57768f-1
0.425
MAT-POS-be048f2c-8
0.424
EDJ-MED-159244ea-1
0.424
YVE-CNR-132fc2df-1
0.424
ALP-POS-477dc5b7-4
0.424
MAT-POS-983b399a-1
0.424
MAT-POS-69786b79-4
0.423
LUO-POS-ed2cfb03-2
0.423
ALP-POS-ecbed2ba-12
0.422
ALP-POS-ecbed2ba-14
0.422
MAT-POS-69786b79-2
0.422
VLA-UNK-5d8210f0-5
0.422
MAT-POS-e75f6e44-5
0.422
MAT-POS-566864e2-2
0.422
BRU-THA-ae0174a8-1
0.422
MAT-POS-566864e2-1
0.422
EDJ-MED-4138fde9-8
0.422
EDJ-MED-accc2c4d-1
0.422
LUO-POS-e1dab717-1
0.421
MAT-POS-69786b79-1
0.421
MAT-POS-576f7758-1
0.421
MAT-POS-566864e2-4
0.421
MAT-POS-566864e2-3
0.421
JAG-UCB-f37eaa14-5
0.421
ALP-POS-ecbed2ba-7
0.421
DAR-DIA-6be260fc-5
0.420
EDJ-MED-33064c06-16
0.420
MAT-POS-e75f6e44-10
0.420
MAT-POS-e75f6e44-14
0.420
ALP-POS-ecbed2ba-21
0.420
JAG-UCB-f37eaa14-3
0.419
EDJ-MED-a12e3a20-1
0.419
EDJ-MED-6b23330e-1
0.419
EDJ-MED-6b23330e-5
0.419
MAT-POS-e75f6e44-2
0.419
MAT-POS-e75f6e44-3
0.419
MAT-POS-e75f6e44-4
0.419
ALP-POS-ecbed2ba-3
0.417
EDJ-MED-3707c4bc-1
0.417
PET-UNK-94036022-3
0.417
PET-UNK-37c7074c-2
0.417
PET-UNK-37c7074c-4
0.417
EDJ-MED-accc2c4d-3
0.417