Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(C=CN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 472.13 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 82.61 |
cLogP: | 3.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
EDJ-MED-fd8ed875-3
0.689
EDJ-MED-fd8ed875-2
0.654
EDJ-MED-fd8ed875-6
0.651
EDJ-MED-7e491f08-2
0.615
MAT-POS-576f7758-2
0.600
EDJ-MED-976a33d5-1
0.600
LUO-POS-e1dab717-2
0.600
MAT-POS-e48723dc-1
0.600
MAT-POS-e48723dc-2
0.600
PET-UNK-4c71d490-4
0.598
PET-UNK-4c71d490-8
0.598
PET-UNK-14142a25-9
0.589
PET-UNK-14142a25-18
0.589
EDJ-MED-dbcb2afb-1
0.588
PET-UNK-14142a25-3
0.584
LUO-POS-e1dab717-14
0.584
PET-UNK-14142a25-12
0.584
EDJ-MED-fed7ac0b-2
0.584
PET-UNK-14142a25-7
0.583
PET-UNK-14142a25-16
0.583
PET-UNK-14142a25-5
0.574
PET-UNK-14142a25-14
0.574
PET-UNK-4c71d490-2
0.574
PET-UNK-4c71d490-6
0.574
ALP-POS-c3a90b22-1
0.561
EDJ-MED-98c0a822-3
0.561
EDJ-MED-33064c06-11
0.533
ALP-POS-c3a90b22-9
0.533
ALP-POS-c3a90b22-3
0.525
EDJ-MED-98c0a822-4
0.525
EDJ-MED-33064c06-13
0.525
EDJ-MED-fd8ed875-1
0.504
EDJ-MED-fd8ed875-5
0.483
LUO-POS-e1dab717-4
0.483
EDJ-MED-b6c6ee2b-7
0.479
EDJ-MED-59d5ca70-1
0.476
EDJ-MED-fed7ac0b-4
0.467
EDJ-MED-8bb691af-7
0.466
EDJ-MED-8bb691af-8
0.466
MIK-ENA-37e0b697-1
0.466
PET-UNK-14142a25-1
0.466
LUO-POS-9931618f-1
0.466
MIK-ENA-794411b8-1
0.466
LUO-POS-9931618f-2
0.466
PET-UNK-14142a25-10
0.466
EDJ-MED-5cd3920d-3
0.456
EDJ-MED-5cd3920d-4
0.456
LUO-POS-e1dab717-6
0.456
ALP-POS-ecbed2ba-7
0.454
MAT-POS-69786b79-1
0.454
MAT-POS-576f7758-1
0.454
LUO-POS-e1dab717-1
0.454
MAT-POS-566864e2-3
0.454
MAT-POS-566864e2-4
0.454
PET-UNK-4c71d490-3
0.451
PET-UNK-4c71d490-7
0.451
PET-UNK-14142a25-2
0.450
PET-UNK-14142a25-11
0.450
LUO-POS-8701f4c8-1
0.449
EDJ-MED-12c4873b-2
0.449
EDJ-MED-43f8f7d6-2
0.449
EDJ-MED-7d88f880-2
0.449
EDJ-MED-cbbe2dbb-4
0.447
VLA-UNK-61877630-6
0.447
VLA-UNK-8e615992-5
0.447
EDJ-MED-976a33d5-3
0.446
ALP-POS-c3a90b22-5
0.446
VLA-UNK-61877630-3
0.443
LUO-POS-e1dab717-13
0.443
VLA-UNK-8e615992-4
0.443
EDJ-MED-976a33d5-2
0.441
EDJ-MED-33064c06-7
0.441
LUO-POS-e1dab717-10
0.441
MIC-UNK-eb20c3e1-2
0.439
LUO-POS-5857a86a-3
0.439
MAT-POS-1bed62cf-2
0.438
LUO-POS-5857a86a-4
0.438
LUO-POS-868e8996-7
0.438
LUO-POS-868e8996-8
0.438
EDJ-MED-a12e3a20-2
0.438
EDJ-MED-24007d8a-2
0.435
ALP-POS-c3a90b22-2
0.434
JOH-MSK-4bb3d434-1
0.433
EDJ-MED-a6bd6de0-1
0.432
EDJ-MED-b0f3342b-1
0.432
PET-UNK-14142a25-6
0.432
PET-UNK-14142a25-15
0.432
EDJ-MED-4138fde9-5
0.432
MIC-UNK-eb20c3e1-4
0.431
EDJ-MED-fed7ac0b-1
0.431
LUO-POS-e1dab717-8
0.430
EDJ-MED-33064c06-3
0.429
PET-UNK-14142a25-8
0.427
PET-UNK-14142a25-17
0.427
EDJ-MED-dfa1d800-3
0.426
MAT-POS-50a80394-4
0.425
ALP-POS-c3a90b22-4
0.424
PET-UNK-14142a25-4
0.424
PET-UNK-14142a25-13
0.424
PET-UNK-4c71d490-1
0.424