Molecular Properties | |
SMILES: | CN(C)c1ccc([C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)cc1 |
MW: | 457.16 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 54.46 |
cLogP: | 5.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dye 11
ALP-POS-d2866bdf-1
FRA-DIA-13af2da5-2
1.000
MAT-POS-2905de8c-3
0.645
MAT-POS-2905de8c-2
0.632
DAR-DIA-6a508060-10
0.628
MAT-POS-8e4737f4-1
0.628
EDJ-MED-e4b030d8-13
0.628
BEN-DND-a7517465-4
0.628
EDG-MED-971238d3-1
0.628
MAT-POS-9db1e783-1
0.628
PET-UNK-29afea89-2
0.619
EDJ-MED-d08626de-2
0.619
EDG-MED-0e5afe9d-3
0.619
EDJ-MED-d08626de-1
0.619
DAR-DIA-e7614d05-1
0.616
DAR-DIA-e7614d05-2
0.616
ALP-POS-93b3621f-1
0.616
DAR-DIA-e7614d05-3
0.616
PET-UNK-407a74a5-5
0.615
EDG-MED-971238d3-11
0.615
EDG-MED-90036822-86
0.608
EDG-MED-971238d3-4
0.598
MAT-POS-3b97339c-2
0.598
MAT-POS-2905de8c-1
0.598
MIC-UNK-6e9f8a43-2
0.596
PET-UNK-29afea89-1
0.596
MAT-POS-45b13633-3
0.594
MAT-POS-e6dd326d-3
0.594
MAT-POS-e6dd326d-2
0.590
MAT-POS-45b13633-2
0.590
EDG-MED-90036822-28
0.588
EDG-MED-90036822-29
0.588
EDG-MED-90036822-21
0.587
EDG-MED-971238d3-2
0.586
MAT-POS-9db1e783-2
0.586
PET-UNK-bcc8fd08-1
0.584
EDG-MED-971238d3-5
0.580
MAT-POS-e6dd326d-1
0.580
MAT-POS-45b13633-1
0.580
MAT-POS-2bb0cf2b-1
0.580
PET-UNK-824b5c6a-1
0.578
MAT-POS-f9802937-4
0.577
MAT-POS-5d65ec79-1
0.577
MAT-POS-f9802937-3
0.577
PET-UNK-acd70dee-1
0.575
RAL-THA-e002e396-11
0.573
RAL-THA-e002e396-1
0.573
RAL-THA-e002e396-2
0.573
PET-UNK-824b5c6a-3
0.573
RAL-THA-e002e396-12
0.571
MAR-UCB-6ab2ec87-3
0.571
RAL-THA-58fba2bc-3
0.569
EDG-MED-971238d3-9
0.569
EDG-MED-971238d3-3
0.569
JAG-UCB-706446eb-3
0.569
RAL-THA-58fba2bc-1
0.569
EDG-MED-971238d3-6
0.569
EDG-MED-971238d3-10
0.569
EDG-MED-90036822-13
0.569
MAT-POS-45b13633-4
0.569
RAL-THA-e002e396-6
0.567
MAT-POS-e6dd326d-9
0.567
EDG-MED-971238d3-8
0.567
MAT-POS-5d65ec79-2
0.567
MAT-POS-f9802937-5
0.567
EDJ-MED-f893e2a1-8
0.567
MAT-POS-f9802937-6
0.567
MAT-POS-e6dd326d-4
0.567
RAL-THA-e002e396-7
0.566
EDG-MED-90036822-48
0.566
EDG-MED-90036822-47
0.566
EDG-MED-90036822-62
0.566
EDG-MED-90036822-2
0.563
PET-UNK-10c83c8b-1
0.563
DAR-DIA-ecdbc7dd-13
0.563
PET-UNK-3bb57da2-3
0.562
EDJ-MED-28ec730d-2
0.562
EDG-MED-90036822-10
0.562
EDG-MED-90036822-11
0.562
PET-UNK-824b5c6a-2
0.562
EDJ-MED-424a8a89-2
0.562
MAT-POS-45b13633-5
0.562
VLA-UCB-1dbca3b4-14
0.561
EDJ-MED-e4b030d8-1
0.561
MAT-POS-e6dd326d-5
0.561
PET-UNK-3bb57da2-2
0.561
EDG-MED-90036822-63
0.558
EDG-MED-90036822-100
0.558
MAT-POS-e6dd326d-12
0.557
EDG-MED-90036822-9
0.557
EDJ-MED-6d9ff7d0-9
0.557
RAL-THA-e002e396-5
0.557
EDG-MED-90036822-34
0.557
PET-UNK-3bb57da2-1
0.557
EDJ-MED-40433386-10
0.556
MAT-POS-e6dd326d-13
0.556
PET-UNK-49566573-1
0.556
RAL-THA-58fba2bc-4
0.552
EDG-MED-971238d3-7
0.552
DAR-DIA-ecdbc7dd-4
0.552
MIC-UNK-ddc6ad53-1
0.552