Molecule Details
| Molecular Properties | |
| SMILES: | CNC(=O)C1(N2Cc3ccc(Cl)cc3C3(CCN(c4cncc5ccccc45)C3=O)C2)CCOCC1 |
| MW: | 504.19 |
| Fraction sp3: | 0.39 |
| HBA: | 5 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 74.77 |
| cLogP: | 3.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-576f7758-1
0.875
ALP-POS-ecbed2ba-7
0.875
LUO-POS-e1dab717-1
0.875
MAT-POS-69786b79-1
0.875
MAT-POS-566864e2-3
0.875
MAT-POS-566864e2-4
0.875
ALP-POS-c3a90b22-2
0.857
ALP-POS-c3a90b22-4
0.832
LUO-POS-e1dab717-13
0.743
EDJ-MED-59d5ca70-2
0.725
LUO-POS-e1dab717-3
0.714
LUO-POS-868e8996-12
0.670
EDJ-MED-8bb691af-4
0.670
MAT-POS-c7726e07-5
0.670
LUO-POS-868e8996-11
0.670
MAT-POS-c7726e07-6
0.670
LUO-POS-e1dab717-5
0.655
LUO-POS-e1dab717-9
0.649
ALP-POS-c3a90b22-9
0.647
EDJ-MED-33064c06-11
0.647
LUO-POS-e1dab717-7
0.636
MIK-ENA-4a1c9a78-1
0.634
MIK-ENA-1494235a-1
0.634
MIK-ENA-4ed700b1-1
0.634
ALP-POS-c3a90b22-6
0.631
LUO-POS-ed2cfb03-2
0.615
MAT-POS-e75f6e44-4
0.614
EDJ-MED-6b23330e-5
0.614
EDJ-MED-4138fde9-3
0.612
EDJ-MED-cc48ee33-3
0.611
LUO-POS-e1dab717-19
0.606
EDJ-MED-7587a9ee-3
0.602
EDJ-MED-6b23330e-1
0.600
MAT-POS-69786b79-3
0.596
EDJ-MED-cc48ee33-5
0.595
EDJ-MED-6b23330e-4
0.595
MAT-POS-be048f2c-6
0.593
EDJ-MED-40e596c8-1
0.593
MAT-POS-69786b79-2
0.591
EDJ-MED-cc48ee33-4
0.591
MAT-POS-e75f6e44-1
0.591
ALP-POS-ecbed2ba-14
0.591
ALP-POS-ecbed2ba-20
0.591
MAT-POS-e75f6e44-6
0.590
MAT-POS-e75f6e44-19
0.590
MAT-POS-be048f2c-8
0.588
MAT-POS-e75f6e44-8
0.588
MAT-POS-e75f6e44-9
0.588
ALP-POS-ecbed2ba-11
0.587
EDJ-MED-6b23330e-7
0.586
EDJ-MED-6b23330e-2
0.586
EDJ-MED-98c0a822-2
0.585
EDJ-MED-33064c06-13
0.585
ALP-POS-c3a90b22-3
0.585
EDJ-MED-98c0a822-4
0.585
MAT-POS-e75f6e44-14
0.585
ALP-POS-133e7cd9-1
0.584
EDJ-MED-976a33d5-3
0.583
MAT-POS-e75f6e44-7
0.581
MAT-POS-be048f2c-5
0.580
LUO-POS-ed2cfb03-1
0.579
MAT-POS-e75f6e44-5
0.578
ALP-POS-ecbed2ba-12
0.578
EDJ-MED-976a33d5-1
0.578
LUO-POS-e1dab717-2
0.578
MAT-POS-576f7758-2
0.578
MAT-POS-e48723dc-1
0.578
MAT-POS-e48723dc-2
0.578
MAT-POS-566864e2-2
0.578
MAT-POS-566864e2-1
0.578
BRU-THA-ae0174a8-1
0.578
EDJ-MED-6b23330e-6
0.576
ALP-POS-ecbed2ba-3
0.574
MAT-POS-e75f6e44-2
0.573
MAT-POS-e75f6e44-3
0.573
EDJ-MED-40e596c8-3
0.571
VLA-UNK-3bd6fc51-1
0.571
EDJ-MED-33064c06-16
0.571
MAT-POS-e75f6e44-10
0.571
EDJ-MED-98c0a822-1
0.568
ALP-POS-c3a90b22-1
0.568
EDJ-MED-98c0a822-3
0.568
MAT-POS-e75f6e44-17
0.568
MAT-POS-be048f2c-7
0.567
PET-UNK-14142a25-1
0.566
PET-UNK-14142a25-10
0.566
MIK-ENA-794411b8-1
0.566
LUO-POS-9931618f-2
0.566
LUO-POS-9931618f-1
0.566
MIK-ENA-37e0b697-1
0.566
EDJ-MED-8bb691af-8
0.566
EDJ-MED-4138fde9-4
0.565
EDJ-MED-4138fde9-8
0.564
MAT-POS-69786b79-4
0.563
MAT-POS-e75f6e44-12
0.563
MAT-POS-e75f6e44-13
0.563
MAT-POS-e75f6e44-15
0.563
MAT-POS-e75f6e44-16
0.562
EDJ-MED-d4864bdc-1
0.560
ALP-POS-ecbed2ba-18
0.560