Molecular Properties | |
SMILES: | COC(=O)CN1CC2(CC(=O)N(c3cncc4ccccc34)C2)c2cc(Cl)ccc2C1=O |
MW: | 449.11 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 79.81 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
EDJ-MED-8bb691af-9
0.833
JOH-MSK-4bb3d434-1
0.632
JOH-MSK-4bb3d434-4
0.620
12_-111-3e02a1cd-2
0.600
PET-UNK-77d5678a-3
0.600
JOH-MSK-4bb3d434-2
0.600
PET-UNK-77d5678a-6
0.600
EDJ-MED-8bb691af-3
0.583
JOH-MSK-4bb3d434-3
0.573
PET-UNK-14142a25-1
0.541
EDJ-MED-8bb691af-8
0.541
PET-UNK-14142a25-10
0.541
LUO-POS-9931618f-1
0.541
MIK-ENA-37e0b697-1
0.541
MIK-ENA-794411b8-1
0.541
LUO-POS-9931618f-2
0.541
EDJ-MED-8bb691af-7
0.540
PET-UNK-14142a25-2
0.522
PET-UNK-14142a25-11
0.522
EDJ-MED-a12e3a20-2
0.522
LUO-POS-868e8996-8
0.509
LUO-POS-868e8996-7
0.509
MAT-POS-1bed62cf-2
0.509
PET-UNK-14142a25-17
0.508
PET-UNK-14142a25-8
0.508
EDJ-MED-4cb9dd84-1
0.508
PET-UNK-14142a25-4
0.504
PET-UNK-14142a25-13
0.504
EDJ-MED-33064c06-1
0.504
EDJ-MED-159244ea-3
0.500
MAT-POS-983b399a-3
0.500
PET-UNK-14142a25-6
0.500
PET-UNK-14142a25-15
0.500
EDJ-MED-33064c06-2
0.500
EDJ-MED-33064c06-5
0.500
EDJ-MED-33064c06-12
0.500
EDJ-MED-33064c06-18
0.500
EDJ-MED-33064c06-3
0.496
ALP-POS-c3a90b22-11
0.496
EDJ-MED-33064c06-8
0.496
EDJ-MED-33064c06-17
0.492
EDJ-MED-fd8ed875-5
0.492
EDJ-MED-3af0740c-1
0.492
EDJ-MED-33064c06-15
0.492
VLA-UNK-61877630-6
0.492
VLA-UNK-8e615992-5
0.492
ALP-POS-c3a90b22-5
0.492
EDJ-MED-8bb691af-5
0.488
EDJ-MED-33064c06-14
0.488
EDJ-MED-33064c06-6
0.484
EDJ-MED-33064c06-10
0.484
PET-UNK-4c71d490-3
0.483
PET-UNK-4c71d490-7
0.483
EDJ-MED-33064c06-4
0.480
ALP-POS-c3a90b22-12
0.480
EDJ-MED-33064c06-9
0.480
EDJ-MED-fed7ac0b-1
0.475
EDJ-MED-fd8ed875-1
0.475
VLA-UNK-8e615992-4
0.475
EDJ-MED-fed7ac0b-4
0.475
VLA-UNK-61877630-3
0.475
EDJ-MED-40e596c8-5
0.471
EDJ-MED-fd8ed875-3
0.471
PET-UNK-aa57768f-8
0.470
PET-UNK-aa57768f-9
0.470
PET-UNK-aa57768f-2
0.470
PET-UNK-aa57768f-3
0.470
PET-UNK-4c71d490-1
0.467
PET-UNK-4c71d490-5
0.467
EDJ-MED-0d144977-2
0.467
EDJ-MED-a6bd6de0-1
0.463
EDJ-MED-b0f3342b-1
0.463
EDJ-MED-976a33d5-1
0.463
LUO-POS-e1dab717-2
0.463
MAT-POS-576f7758-2
0.463
MAT-POS-e48723dc-2
0.463
MAT-POS-e48723dc-1
0.463
EDJ-MED-cc48ee33-2
0.460
EDJ-MED-40e596c8-4
0.460
MIC-UNK-eb20c3e1-2
0.459
EDJ-MED-cc48ee33-7
0.459
EDJ-MED-0d144977-3
0.459
EDJ-MED-0d144977-1
0.459
PET-UNK-6af7266d-1
0.458
PET-UNK-6af7266d-3
0.458
ALP-POS-c3a90b22-1
0.455
EDJ-MED-98c0a822-3
0.455
PET-UNK-aa57768f-1
0.455
PET-UNK-aa57768f-7
0.455
PET-UNK-aa57768f-5
0.454
PET-UNK-aa57768f-6
0.454
PET-UNK-aa57768f-11
0.454
PET-UNK-aa57768f-12
0.454
EDJ-MED-9f4ac58c-6
0.452
EDG-MED-b1ef7fe3-1
0.449
LUO-POS-8c3e556a-2
0.449
LUO-POS-8c3e556a-1
0.449
EDJ-MED-59d5ca70-1
0.449
ALP-POS-c3a90b22-3
0.448
EDJ-MED-33064c06-13
0.448