Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC3(CCN(c4cncc5ccc(OCCNCC(F)(F)F)cc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 615.19 |
Fraction sp3: | 0.4 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 103.87 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2022-01-11 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Aliphatic long chain
high halogen content (>3)
EDJ-MED-4138fde9-5
0.853
EDJ-MED-dfa1d800-5
0.782
LUO-POS-e1dab717-8
0.780
EDJ-MED-dfa1d800-1
0.768
EDJ-MED-dfa1d800-4
0.764
EDJ-MED-5cd3920d-3
0.748
EDJ-MED-dfa1d800-2
0.744
LUO-POS-e1dab717-6
0.733
EDJ-MED-dfa1d800-3
0.733
EDJ-MED-3af0740c-2
0.705
LUO-POS-e1dab717-4
0.703
EDJ-MED-4138fde9-4
0.697
EDJ-MED-b6c6ee2b-7
0.694
EDJ-MED-3af0740c-3
0.679
EDJ-MED-5cd3920d-4
0.677
MIK-ENA-26b331e0-1
0.633
MAT-POS-576f7758-2
0.629
EDJ-MED-976a33d5-1
0.629
LUO-POS-e1dab717-2
0.629
MAT-POS-e48723dc-1
0.629
MAT-POS-e48723dc-2
0.629
ALP-POS-c3a90b22-1
0.606
EDJ-MED-98c0a822-3
0.606
EDJ-MED-b6c6ee2b-5
0.590
MAT-POS-38eb6498-4
0.590
EDJ-MED-4138fde9-3
0.585
EDJ-MED-7d88f880-2
0.579
EDJ-MED-4138fde9-2
0.576
EDJ-MED-976a33d5-2
0.571
EDJ-MED-33064c06-7
0.571
LUO-POS-e1dab717-10
0.571
EDJ-MED-33064c06-11
0.567
ALP-POS-c3a90b22-9
0.567
PET-UNK-14142a25-3
0.553
LUO-POS-e1dab717-14
0.553
PET-UNK-14142a25-12
0.553
MAT-POS-ddfe83c6-1
0.550
ALP-POS-c3a90b22-3
0.549
EDJ-MED-98c0a822-4
0.549
EDJ-MED-33064c06-13
0.549
EDJ-MED-59d5ca70-1
0.537
LUO-POS-e1dab717-7
0.528
LUO-POS-8c3e556a-1
0.519
EDG-MED-b1ef7fe3-1
0.519
LUO-POS-8c3e556a-2
0.519
EDJ-MED-d4864bdc-2
0.519
EDJ-MED-b6c6ee2b-6
0.511
EDG-MED-b1ef7fe3-2
0.511
PET-UNK-4c71d490-4
0.507
PET-UNK-4c71d490-8
0.507
EDJ-MED-b6c6ee2b-1
0.493
MAT-POS-38eb6498-3
0.493
EDJ-MED-4138fde9-1
0.490
MAT-POS-1a788f51-4
0.483
LUO-POS-e1dab717-5
0.482
MAT-POS-38eb6498-6
0.482
MIK-ENA-30ee93be-1
0.477
MIK-ENA-434a856c-1
0.474
MIK-ENA-93ef1e28-1
0.474
EDJ-MED-4cb9dd84-2
0.474
MAT-POS-1a788f51-3
0.467
EDJ-MED-8bb691af-8
0.463
MIK-ENA-37e0b697-1
0.463
PET-UNK-14142a25-1
0.463
LUO-POS-9931618f-1
0.463
MIK-ENA-794411b8-1
0.463
LUO-POS-9931618f-2
0.463
PET-UNK-14142a25-10
0.463
EDJ-MED-b6c6ee2b-2
0.457
ALP-POS-c3a90b22-5
0.457
EDJ-MED-fed7ac0b-2
0.454
LUO-POS-e1dab717-3
0.453
PET-UNK-c6bcc80b-6
0.451
PET-UNK-c6bcc80b-13
0.451
MAT-POS-1a788f51-1
0.450
PET-UNK-4c71d490-2
0.448
PET-UNK-4c71d490-6
0.448
MAT-POS-853c0ffa-19
0.447
JOH-MSK-4bb3d434-1
0.445
MAT-POS-1a788f51-2
0.444
EDJ-MED-7e491f08-2
0.443
EDG-MED-b1ef7fe3-4
0.441
PET-UNK-14142a25-5
0.438
PET-UNK-14142a25-14
0.438
PET-UNK-14142a25-9
0.437
PET-UNK-14142a25-18
0.437
EDJ-MED-3af0740c-1
0.437
EDJ-MED-33064c06-1
0.437
MAT-POS-40ad851a-4
0.435
EDJ-MED-33064c06-5
0.434
EDJ-MED-33064c06-12
0.434
EDG-MED-b1ef7fe3-3
0.433
EDJ-MED-33064c06-2
0.433
EDJ-MED-33064c06-18
0.433
MAT-POS-853c0ffa-10
0.431
EDJ-MED-33064c06-3
0.431
LUO-POS-8484f2d3-1
0.429
MAT-POS-853c0ffa-9
0.429
MAT-POS-38eb6498-1
0.429
MIK-ENA-8063e9dc-1
0.429