Molecular Properties | |
SMILES: | CC(C)[C@]1(O)C[C@@H](N2C[C@]3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc32)C1 |
MW: | 461.19 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.67 |
cLogP: | 4.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-f37eaa14-9
0.766
JAG-UCB-f37eaa14-6
0.680
JAG-UCB-f37eaa14-5
0.564
EDJ-MED-3707c4bc-1
0.559
JAG-UCB-f37eaa14-4
0.559
EDJ-MED-6b23330e-1
0.544
EDJ-MED-7587a9ee-3
0.542
JAG-UCB-f37eaa14-8
0.540
ALP-POS-c3a90b22-1
0.539
EDJ-MED-98c0a822-3
0.539
MAT-POS-c7726e07-6
0.536
MIK-ENA-37e0b697-1
0.536
PET-UNK-14142a25-1
0.536
LUO-POS-9931618f-1
0.536
LUO-POS-9931618f-2
0.536
MIK-ENA-794411b8-1
0.536
EDJ-MED-8bb691af-4
0.536
LUO-POS-868e8996-11
0.536
MAT-POS-c7726e07-5
0.536
LUO-POS-868e8996-12
0.536
PET-UNK-14142a25-10
0.536
EDJ-MED-8bb691af-8
0.536
EDJ-MED-976a33d5-1
0.535
MAT-POS-576f7758-2
0.535
MAT-POS-e48723dc-1
0.535
MAT-POS-e48723dc-2
0.535
LUO-POS-e1dab717-2
0.535
PET-UNK-aa57768f-3
0.532
PET-UNK-aa57768f-9
0.532
LUO-POS-e1dab717-19
0.532
EDJ-MED-98c0a822-4
0.530
ALP-POS-c3a90b22-3
0.530
EDJ-MED-33064c06-13
0.530
JAG-UCB-f37eaa14-3
0.529
LUO-POS-ed2cfb03-2
0.527
VLA-UNK-3bd6fc51-1
0.527
JOH-MSK-4bb3d434-1
0.527
MAT-POS-69786b79-3
0.526
MAT-POS-69786b79-1
0.522
ALP-POS-ecbed2ba-7
0.522
LUO-POS-e1dab717-1
0.522
MAT-POS-566864e2-3
0.522
MAT-POS-566864e2-4
0.522
MAT-POS-576f7758-1
0.522
ALP-POS-ecbed2ba-10
0.522
ALP-POS-ecbed2ba-12
0.522
MIK-ENA-4a1c9a78-1
0.522
MAT-POS-566864e2-1
0.522
MAT-POS-566864e2-2
0.522
MAT-POS-e75f6e44-1
0.522
MIK-ENA-1494235a-1
0.522
MIK-ENA-4ed700b1-1
0.522
MAT-POS-e75f6e44-8
0.521
MAT-POS-e75f6e44-9
0.521
ALP-POS-41e2080f-1
0.519
EDJ-MED-d4864bdc-3
0.519
EDJ-MED-94fddcec-4
0.519
ALP-POS-477dc5b7-4
0.519
MAT-POS-983b399a-1
0.519
EDJ-MED-159244ea-1
0.519
ALP-POS-ecbed2ba-20
0.518
PET-UNK-aa57768f-2
0.518
PET-UNK-aa57768f-8
0.518
ALP-POS-ecbed2ba-18
0.518
PET-UNK-94036022-10
0.518
EDJ-MED-3707c4bc-2
0.518
ALP-POS-c3a90b22-6
0.518
PET-UNK-94036022-3
0.518
EDJ-MED-4cb9dd84-1
0.517
EDJ-MED-33064c06-8
0.517
EDJ-MED-6b23330e-2
0.517
EDJ-MED-98c0a822-2
0.517
EDJ-MED-59d5ca70-1
0.517
DAR-DIA-6be260fc-5
0.514
ALP-POS-4483ae88-2
0.513
EDJ-MED-cc48ee33-3
0.513
ALP-POS-c3a90b22-2
0.513
ALP-POS-c3a90b22-5
0.513
EDJ-MED-976a33d5-3
0.513
ALP-POS-c3a90b22-4
0.513
MAT-POS-e75f6e44-17
0.513
MAT-POS-be048f2c-6
0.513
MAT-POS-be048f2c-7
0.513
ALP-POS-c3a90b22-9
0.512
EDJ-MED-33064c06-11
0.512
MAT-POS-a9372f04-1
0.510
DAR-DIA-6be260fc-1
0.509
JAG-UCB-f37eaa14-2
0.509
LUO-POS-ed2cfb03-1
0.509
EDJ-MED-40e596c8-1
0.509
MAT-POS-69786b79-2
0.509
EDJ-MED-33064c06-18
0.509
EDJ-MED-4138fde9-8
0.509
EDJ-MED-cc48ee33-4
0.509
ALP-POS-ecbed2ba-14
0.509
EDJ-MED-33064c06-14
0.508
EDJ-MED-6b23330e-6
0.508
MAT-POS-e75f6e44-21
0.508
ALP-POS-ecbed2ba-3
0.504
PET-UNK-6af7266d-1
0.504