Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@@](COC)(C(=O)Nc2cncc3ccccc23)c2cc(Cl)ccc2C1=O |
MW: | 466.14 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 2.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7955f415-3
1.000
EDJ-MED-015fb6b4-1
0.710
PET-UNK-7955f415-2
0.703
PET-UNK-7955f415-4
0.703
LUO-POS-868e8996-5
0.697
LUO-POS-868e8996-6
0.697
EDJ-MED-43f8f7d6-5
0.697
ALP-POS-e266d783-1
0.697
MAT-POS-853c0ffa-2
0.697
PET-UNK-fe71d26d-1
0.655
PET-UNK-fe71d26d-3
0.655
RAL-THA-a9c31980-7
0.593
DAR-DIA-9f765dc6-15
0.583
DAR-DIA-9f765dc6-13
0.583
DAR-DIA-9f765dc6-14
0.583
MIC-UNK-e8d6fb58-2
0.579
DAR-DIA-9f765dc6-18
0.560
DAR-DIA-9f765dc6-16
0.560
DAR-DIA-9f765dc6-17
0.560
PET-UNK-4d432d33-3
0.560
PET-UNK-4d432d33-4
0.560
PET-UNK-4d432d33-7
0.560
PET-UNK-4d432d33-8
0.560
MAT-POS-a334828f-3
0.555
PET-UNK-ad758083-4
0.555
JOH-UNI-06d7cc04-1
0.545
EDJ-MED-ce467fd5-3
0.544
RAL-THA-176e263b-1
0.543
MAT-POS-22e8b45a-3
0.543
RAL-THA-e002e396-11
0.542
EDJ-MED-b1cef252-1
0.533
MAT-POS-89bd6af1-4
0.533
MAT-POS-83a7b0a0-1
0.533
PET-UNK-f360ae44-2
0.530
PET-UNK-f360ae44-10
0.530
PET-UNK-f360ae44-7
0.526
PET-UNK-f360ae44-14
0.526
PET-UNK-f360ae44-9
0.526
PET-UNK-f360ae44-1
0.526
PET-UNK-f360ae44-6
0.526
PET-UNK-f360ae44-8
0.526
PET-UNK-f360ae44-15
0.526
PET-UNK-f360ae44-16
0.526
PET-UNK-407a74a5-4
0.523
PET-UNK-f360ae44-3
0.521
PET-UNK-f360ae44-4
0.521
PET-UNK-f360ae44-5
0.521
PET-UNK-f360ae44-11
0.521
PET-UNK-f360ae44-12
0.521
PET-UNK-f360ae44-13
0.521
ALP-POS-e266d783-2
0.519
MAT-POS-89bd6af1-3
0.519
MAT-UNK-28cf4d29-1
0.519
EDJ-MED-015fb6b4-2
0.514
MAT-POS-a54ce14d-2
0.514
MAT-POS-acfe5bae-2
0.514
MAT-POS-a54ce14d-3
0.514
PET-UNK-14142a25-1
0.514
MIK-ENA-37e0b697-1
0.514
LUO-POS-9931618f-1
0.514
MIK-ENA-794411b8-1
0.514
LUO-POS-9931618f-2
0.514
PET-UNK-14142a25-10
0.514
EDJ-MED-8bb691af-8
0.514
PET-UNK-0d6841fa-4
0.513
MAT-POS-f9802937-6
0.509
MAT-POS-5d65ec79-2
0.509
MAT-POS-f9802937-5
0.509
EDJ-MED-37aac4bd-6
0.500
MIC-UNK-54748b58-2
0.500
EDJ-MED-8bb691af-7
0.500
LUO-POS-868e8996-7
0.496
LUO-POS-868e8996-8
0.496
PET-UNK-14142a25-11
0.496
EDJ-MED-fd8ed875-3
0.496
PET-UNK-14142a25-2
0.496
EDJ-MED-a12e3a20-2
0.496
MAT-POS-1bed62cf-2
0.496
PET-UNK-14142a25-4
0.492
PET-UNK-14142a25-13
0.492
EDJ-MED-fd8ed875-5
0.492
EDJ-MED-8bb691af-9
0.491
MIK-ENA-f5fe7855-1
0.491
LUO-POS-868e8996-1
0.491
MIK-ENA-d22671f7-1
0.491
LUO-POS-868e8996-2
0.491
MIK-ENA-e76e31f3-1
0.491
MAT-POS-e119ab4f-5
0.491
EDJ-MED-37aac4bd-2
0.491
MAT-POS-932d1078-4
0.491
MAT-POS-932d1078-5
0.491
EDJ-MED-fed7ac0b-1
0.487
EDJ-MED-fed7ac0b-4
0.487
EDJ-MED-fd8ed875-1
0.487
ALP-POS-f1807566-3
0.486
RAL-THA-176e263b-4
0.486
MAT-POS-22e8b45a-2
0.486
MIC-UNK-e8d6fb58-1
0.486
PET-UNK-14142a25-8
0.483
PET-UNK-4c71d490-3
0.483