Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CC[C@]12CN(CCNC1CC1)c1ccc(Cl)cc12 |
MW: | 432.17 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 48.47 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-5
0.713
JAG-UCB-f37eaa14-8
0.699
EDJ-MED-33064c06-18
0.600
JAG-UCB-f37eaa14-6
0.594
JAG-UCB-f37eaa14-9
0.590
EDJ-MED-40e596c8-5
0.580
EDJ-MED-40e596c8-4
0.579
EDJ-MED-8bb691af-8
0.574
PET-UNK-14142a25-10
0.574
LUO-POS-9931618f-1
0.574
PET-UNK-14142a25-1
0.574
MIK-ENA-37e0b697-1
0.574
MIK-ENA-794411b8-1
0.574
LUO-POS-9931618f-2
0.574
PET-UNK-aa57768f-2
0.570
PET-UNK-aa57768f-3
0.570
PET-UNK-aa57768f-8
0.570
PET-UNK-aa57768f-9
0.570
EDJ-MED-4cb9dd84-1
0.566
JOH-MSK-4bb3d434-1
0.564
ALP-POS-c3a90b22-5
0.562
JAG-UCB-f37eaa14-7
0.559
MAT-POS-69786b79-2
0.558
ALP-POS-c3a90b22-11
0.552
EDJ-MED-0d144977-2
0.549
EDJ-MED-40e596c8-2
0.548
ALP-POS-c3a90b22-12
0.547
EDJ-MED-33064c06-9
0.547
EDJ-MED-40e596c8-1
0.545
EDJ-MED-33064c06-2
0.544
ALP-POS-c3a90b22-8
0.543
MAT-POS-983b399a-1
0.543
EDJ-MED-159244ea-1
0.543
ALP-POS-477dc5b7-4
0.543
PET-UNK-6af7266d-1
0.540
PET-UNK-6af7266d-3
0.540
PET-UNK-37c7074c-1
0.540
PET-UNK-37c7074c-3
0.540
PET-UNK-37c7074c-2
0.540
PET-UNK-37c7074c-4
0.540
EDJ-MED-33064c06-8
0.539
EDJ-MED-0d144977-3
0.539
EDJ-MED-cc48ee33-7
0.539
EDJ-MED-40e596c8-3
0.538
EDJ-MED-33064c06-3
0.538
EDJ-MED-33064c06-6
0.538
LUO-POS-ed2cfb03-2
0.536
PET-UNK-aa57768f-1
0.535
PET-UNK-aa57768f-7
0.535
EDJ-MED-0d144977-4
0.534
EDJ-MED-3af0740c-1
0.534
EDJ-MED-33064c06-1
0.534
EDJ-MED-33064c06-15
0.534
EDJ-MED-0d144977-5
0.534
EDJ-MED-33064c06-4
0.534
DAR-DIA-6be260fc-1
0.533
JAG-UCB-f37eaa14-2
0.533
EDJ-MED-8bb691af-4
0.532
MAT-POS-c7726e07-5
0.532
LUO-POS-868e8996-11
0.532
LUO-POS-868e8996-12
0.532
MAT-POS-c7726e07-6
0.532
MAT-POS-566864e2-1
0.530
MAT-POS-566864e2-2
0.530
ALP-POS-ecbed2ba-12
0.530
EDJ-MED-33064c06-5
0.530
EDJ-MED-33064c06-12
0.530
EDJ-MED-33064c06-14
0.530
EDJ-MED-d4864bdc-3
0.528
EDJ-MED-94fddcec-4
0.528
ALP-POS-41e2080f-1
0.528
LUO-POS-e1dab717-19
0.527
PET-UNK-94036022-3
0.526
PET-UNK-94036022-10
0.526
ALP-POS-c3a90b22-6
0.526
EDJ-MED-0d144977-1
0.526
EDJ-MED-33064c06-10
0.525
EDJ-MED-59d5ca70-1
0.525
JAG-UCB-f37eaa14-3
0.524
DAR-DIA-6be260fc-5
0.523
EDJ-MED-7587a9ee-3
0.523
VLA-UNK-3bd6fc51-1
0.523
EDJ-MED-33064c06-17
0.521
EDJ-MED-59d5ca70-2
0.521
ALP-POS-ecbed2ba-7
0.518
MAT-POS-576f7758-1
0.518
LUO-POS-e1dab717-1
0.518
MAT-POS-566864e2-4
0.518
MAT-POS-69786b79-1
0.518
MAT-POS-566864e2-3
0.518
MIK-ENA-4a1c9a78-1
0.517
ALP-POS-ecbed2ba-14
0.517
MAT-POS-576f7758-2
0.517
EDJ-MED-976a33d5-1
0.517
MAT-POS-e48723dc-1
0.517
MAT-POS-e48723dc-2
0.517
LUO-POS-e1dab717-2
0.517
MIK-ENA-1494235a-1
0.517
MIK-ENA-4ed700b1-1
0.517
MAT-POS-e75f6e44-13
0.517