Molecular Properties | |
SMILES: | O=C1CC(N2C[C@]3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc32)C1 |
MW: | 417.12 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 53.51 |
cLogP: | 4.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ketones
Ketone
JAG-UCB-f37eaa14-7
0.766
JAG-UCB-f37eaa14-6
0.742
JAG-UCB-f37eaa14-5
0.596
JAG-UCB-f37eaa14-4
0.590
JAG-UCB-f37eaa14-8
0.570
EDJ-MED-d4864bdc-3
0.566
ALP-POS-41e2080f-1
0.566
EDJ-MED-94fddcec-4
0.566
PET-UNK-aa57768f-2
0.563
PET-UNK-aa57768f-8
0.563
PET-UNK-aa57768f-3
0.563
PET-UNK-aa57768f-9
0.563
JAG-UCB-f37eaa14-3
0.561
DAR-DIA-6be260fc-5
0.560
EDJ-MED-7587a9ee-3
0.559
VLA-UNK-3bd6fc51-1
0.558
ALP-POS-477dc5b7-4
0.550
MAT-POS-983b399a-1
0.550
EDJ-MED-159244ea-1
0.550
LUO-POS-e1dab717-19
0.548
ALP-POS-ecbed2ba-20
0.548
PET-UNK-94036022-3
0.546
PET-UNK-94036022-10
0.546
EDJ-MED-98c0a822-2
0.545
LUO-POS-ed2cfb03-2
0.543
EDJ-MED-976a33d5-3
0.541
EDJ-MED-98c0a822-3
0.541
ALP-POS-c3a90b22-1
0.541
DAR-DIA-6be260fc-1
0.540
JAG-UCB-f37eaa14-2
0.540
MAT-POS-c7726e07-6
0.538
LUO-POS-9931618f-1
0.538
PET-UNK-14142a25-10
0.538
EDJ-MED-8bb691af-8
0.538
LUO-POS-868e8996-12
0.538
PET-UNK-14142a25-1
0.538
MIK-ENA-37e0b697-1
0.538
LUO-POS-868e8996-11
0.538
LUO-POS-9931618f-2
0.538
MIK-ENA-794411b8-1
0.538
EDJ-MED-8bb691af-4
0.538
MAT-POS-c7726e07-5
0.538
LUO-POS-e1dab717-2
0.536
MAT-POS-576f7758-2
0.536
EDJ-MED-4138fde9-8
0.536
MAT-POS-e48723dc-1
0.536
ALP-POS-ecbed2ba-12
0.536
MAT-POS-e48723dc-2
0.536
MAT-POS-566864e2-1
0.536
ALP-POS-ecbed2ba-10
0.536
EDJ-MED-976a33d5-1
0.536
MAT-POS-566864e2-2
0.536
EDJ-MED-3707c4bc-1
0.532
EDJ-MED-3707c4bc-2
0.532
EDJ-MED-4cb9dd84-1
0.532
EDJ-MED-98c0a822-4
0.531
EDJ-MED-33064c06-13
0.531
ALP-POS-c3a90b22-3
0.531
EDJ-MED-59d5ca70-1
0.530
ALP-POS-4483ae88-1
0.529
EDJ-MED-f9b78f78-4
0.529
JOH-MSK-4bb3d434-1
0.528
ALP-POS-4483ae88-2
0.527
MAT-POS-69786b79-3
0.527
EDJ-MED-98c0a822-1
0.527
EDJ-MED-33064c06-15
0.527
MAT-POS-a9372f04-1
0.525
LUO-POS-e1dab717-1
0.523
ALP-POS-ecbed2ba-7
0.523
LUO-POS-ed2cfb03-1
0.523
MAT-POS-69786b79-1
0.523
MAT-POS-576f7758-1
0.523
MAT-POS-566864e2-3
0.523
MAT-POS-566864e2-4
0.523
EDJ-MED-40e596c8-1
0.523
MAT-POS-69786b79-2
0.523
MIK-ENA-1494235a-1
0.523
MIK-ENA-4ed700b1-1
0.523
MIK-ENA-4a1c9a78-1
0.523
EDJ-MED-33064c06-18
0.523
MAT-POS-69786b79-4
0.522
LUO-POS-e1dab717-12
0.522
ALP-POS-ecbed2ba-3
0.518
ALP-POS-ecbed2ba-18
0.518
PET-UNK-6af7266d-1
0.518
PET-UNK-37c7074c-1
0.518
PET-UNK-37c7074c-3
0.518
PET-UNK-37c7074c-2
0.518
PET-UNK-37c7074c-4
0.518
PET-UNK-6af7266d-3
0.518
EDJ-MED-accc2c4d-3
0.518
EDJ-MED-accc2c4d-4
0.518
ALP-POS-c3a90b22-6
0.518
ALP-POS-ecbed2ba-9
0.518
EDJ-MED-6b23330e-1
0.518
EDJ-MED-40e596c8-5
0.518
MAT-POS-e75f6e44-3
0.518
MIK-ENA-9eb8d9fb-1
0.517
PET-UNK-aa57768f-1
0.514
PET-UNK-aa57768f-7
0.514