Molecule Details
| Molecular Properties | |
| SMILES: | CCCn1nccc1C(=O)N1Cc2ccc(Cl)cc2C2(CCN(c3cncc4ccccc34)C2=O)C1 |
| MW: | 499.18 |
| Fraction sp3: | 0.29 |
| HBA: | 5 |
| HBD: | 0 |
| Rotatable Bonds: | 4 |
| TPSA: | 71.33 |
| cLogP: | 4.83 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MAT-POS-be048f2c-5
0.871
EDJ-MED-cc48ee33-3
0.794
EDJ-MED-cc48ee33-4
0.736
MAT-POS-be048f2c-6
0.734
EDJ-MED-cc48ee33-5
0.722
MAT-POS-be048f2c-7
0.718
MAT-POS-c7726e07-5
0.618
LUO-POS-868e8996-11
0.618
MAT-POS-c7726e07-6
0.618
LUO-POS-868e8996-12
0.618
EDJ-MED-8bb691af-4
0.618
LUO-POS-e1dab717-19
0.615
ALP-POS-c3a90b22-6
0.611
EDJ-MED-6b23330e-5
0.609
MAT-POS-e75f6e44-4
0.609
MAT-POS-e75f6e44-7
0.603
EDJ-MED-40e596c8-1
0.602
EDJ-MED-7587a9ee-3
0.596
EDJ-MED-6b23330e-1
0.595
MAT-POS-69786b79-3
0.591
ALP-POS-c3a90b22-4
0.590
ALP-POS-c3a90b22-10
0.588
MAT-POS-566864e2-3
0.588
MAT-POS-566864e2-4
0.588
MAT-POS-576f7758-1
0.588
ALP-POS-ecbed2ba-7
0.588
MAT-POS-69786b79-1
0.588
LUO-POS-e1dab717-1
0.588
MAT-POS-e75f6e44-1
0.586
MIK-ENA-1494235a-1
0.586
MIK-ENA-4ed700b1-1
0.586
ALP-POS-ecbed2ba-14
0.586
MAT-POS-e75f6e44-5
0.586
MIK-ENA-4a1c9a78-1
0.586
ALP-POS-ecbed2ba-1
0.585
MAT-POS-e75f6e44-6
0.585
MAT-POS-e75f6e44-19
0.585
EDJ-MED-3707c4bc-2
0.583
ALP-POS-ecbed2ba-18
0.583
ALP-POS-ecbed2ba-3
0.583
EDJ-MED-6b23330e-2
0.581
EDJ-MED-6b23330e-7
0.581
MAT-POS-e75f6e44-2
0.581
LUO-POS-ed2cfb03-2
0.580
VLA-UNK-3bd6fc51-1
0.580
EDJ-MED-40e596c8-3
0.580
EDJ-MED-33064c06-16
0.580
MAT-POS-e75f6e44-10
0.580
MAT-POS-e75f6e44-14
0.580
ALP-POS-c3a90b22-2
0.578
EDJ-MED-6b23330e-4
0.576
MAT-POS-e75f6e44-17
0.576
LUO-POS-ed2cfb03-1
0.574
PET-UNK-94036022-9
0.573
BRU-THA-ae0174a8-1
0.573
ALP-POS-ecbed2ba-12
0.573
MAT-POS-69786b79-2
0.573
PET-UNK-94036022-2
0.573
MAT-POS-566864e2-1
0.573
MAT-POS-566864e2-2
0.573
EDJ-MED-4138fde9-8
0.573
MAT-POS-e75f6e44-12
0.571
ALP-POS-ecbed2ba-20
0.571
EDJ-MED-6b23330e-6
0.571
MAT-POS-e75f6e44-15
0.571
MAT-POS-e75f6e44-16
0.570
PET-UNK-94036022-10
0.569
PET-UNK-94036022-3
0.569
EDJ-MED-3707c4bc-1
0.569
ALP-POS-ecbed2ba-19
0.568
MAT-POS-e75f6e44-3
0.568
MAT-POS-e75f6e44-11
0.567
ALP-POS-ecbed2ba-6
0.563
MAT-POS-e75f6e44-13
0.558
MAT-POS-69786b79-4
0.558
MAT-POS-e75f6e44-8
0.557
EDJ-MED-4138fde9-7
0.557
MAT-POS-e75f6e44-9
0.557
ALP-POS-ecbed2ba-11
0.556
EDJ-MED-accc2c4d-3
0.556
ALP-POS-ecbed2ba-4
0.555
EDJ-MED-8bb691af-6
0.555
MIK-ENA-5d9157e9-1
0.555
MIK-ENA-5d9157e9-2
0.555
PET-UNK-7e9559de-1
0.555
PET-UNK-7e9559de-4
0.555
MAT-POS-96396902-1
0.555
EDJ-MED-accc2c4d-2
0.555
ALP-POS-c3a90b22-7
0.555
EDJ-MED-6b23330e-3
0.553
ALP-POS-ecbed2ba-17
0.550
VLA-UNK-61877630-10
0.550
EDJ-MED-5cd3920d-5
0.550
EDJ-MED-5cd3920d-6
0.550
EDJ-MED-40e596c8-2
0.550
EDJ-MED-59d5ca70-2
0.549
ALP-POS-ecbed2ba-22
0.549
MAT-POS-e75f6e44-20
0.549
ALP-POS-ecbed2ba-15
0.549
MAT-POS-e75f6e44-18
0.549