Molecular Properties | |
SMILES: | CNCCOc1ccc2cncc(N3CCC4(CN(C5(C(=O)NC)CC5)C(=O)c5ccc(Cl)cc54)C3=O)c2c1 |
MW: | 547.2 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 103.87 |
cLogP: | 2.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Aliphatic long chain
LUO-POS-e1dab717-8
0.857
EDJ-MED-4138fde9-6
0.853
EDJ-MED-dfa1d800-5
0.842
EDJ-MED-dfa1d800-1
0.842
EDJ-MED-dfa1d800-4
0.821
EDJ-MED-dfa1d800-2
0.814
LUO-POS-e1dab717-6
0.807
EDJ-MED-5cd3920d-3
0.807
EDJ-MED-dfa1d800-3
0.800
LUO-POS-e1dab717-4
0.776
EDJ-MED-b6c6ee2b-7
0.732
EDJ-MED-5cd3920d-4
0.728
LUO-POS-e1dab717-2
0.690
EDJ-MED-976a33d5-1
0.690
MAT-POS-576f7758-2
0.690
MAT-POS-e48723dc-2
0.690
MAT-POS-e48723dc-1
0.690
EDJ-MED-4138fde9-3
0.678
ALP-POS-c3a90b22-1
0.650
EDJ-MED-98c0a822-3
0.650
EDJ-MED-b6c6ee2b-5
0.642
MAT-POS-38eb6498-4
0.642
EDJ-MED-7d88f880-2
0.631
EDJ-MED-976a33d5-2
0.623
LUO-POS-e1dab717-10
0.623
EDJ-MED-33064c06-7
0.623
ALP-POS-c3a90b22-9
0.618
EDJ-MED-33064c06-11
0.618
PET-UNK-14142a25-3
0.603
PET-UNK-14142a25-12
0.603
LUO-POS-e1dab717-14
0.603
MAT-POS-ddfe83c6-1
0.600
ALP-POS-c3a90b22-3
0.598
EDJ-MED-33064c06-13
0.598
EDJ-MED-98c0a822-4
0.598
EDJ-MED-3af0740c-2
0.585
EDJ-MED-59d5ca70-1
0.584
EDJ-MED-4138fde9-4
0.578
LUO-POS-e1dab717-7
0.573
EDG-MED-b1ef7fe3-1
0.568
LUO-POS-8c3e556a-1
0.568
LUO-POS-8c3e556a-2
0.568
EDJ-MED-d4864bdc-2
0.566
EDJ-MED-3af0740c-3
0.564
EDJ-MED-4138fde9-1
0.564
PET-UNK-4c71d490-8
0.552
PET-UNK-4c71d490-4
0.552
EDJ-MED-b6c6ee2b-1
0.534
MAT-POS-38eb6498-3
0.534
EDJ-MED-b6c6ee2b-6
0.532
EDG-MED-b1ef7fe3-2
0.532
MAT-POS-38eb6498-6
0.524
LUO-POS-e1dab717-5
0.523
MIK-ENA-26b331e0-1
0.521
MIK-ENA-434a856c-1
0.516
EDJ-MED-4cb9dd84-2
0.516
MIK-ENA-93ef1e28-1
0.516
MIK-ENA-30ee93be-1
0.514
MAT-POS-1a788f51-4
0.511
LUO-POS-9931618f-1
0.504
PET-UNK-14142a25-1
0.504
MIK-ENA-37e0b697-1
0.504
MIK-ENA-794411b8-1
0.504
LUO-POS-9931618f-2
0.504
EDJ-MED-8bb691af-8
0.504
PET-UNK-14142a25-10
0.504
MAT-POS-1a788f51-3
0.504
EDJ-MED-b6c6ee2b-2
0.496
ALP-POS-c3a90b22-5
0.496
EDJ-MED-fed7ac0b-2
0.492
LUO-POS-e1dab717-3
0.492
MAT-POS-1a788f51-1
0.486
PET-UNK-4c71d490-2
0.485
PET-UNK-4c71d490-6
0.485
JOH-MSK-4bb3d434-1
0.484
MAT-POS-853c0ffa-19
0.482
EDG-MED-b1ef7fe3-4
0.480
MAT-POS-1a788f51-2
0.479
PET-UNK-14142a25-5
0.474
PET-UNK-14142a25-14
0.474
PET-UNK-14142a25-9
0.473
PET-UNK-14142a25-18
0.473
EDJ-MED-4138fde9-2
0.469
EDJ-MED-7e491f08-2
0.469
EDJ-MED-33064c06-18
0.469
PET-UNK-c6bcc80b-6
0.467
PET-UNK-c6bcc80b-13
0.467
MAT-POS-853c0ffa-10
0.465
EDJ-MED-d4864bdc-4
0.462
LUO-POS-8484f2d3-2
0.462
MIK-ENA-7066949b-1
0.462
MAT-POS-853c0ffa-1
0.462
MAT-POS-1d5ab790-3
0.462
MAT-POS-853c0ffa-9
0.462
MAT-POS-38eb6498-1
0.462
LUO-POS-8484f2d3-1
0.462
MIK-ENA-8063e9dc-1
0.462
MAT-POS-ddfe83c6-6
0.461
PET-UNK-14142a25-16
0.459
PET-UNK-14142a25-7
0.459