Molecular Properties | |
SMILES: | CN1C[C@H]2COc3ccc(Cl)cc3[C@@]2(C(=O)Nc2cncc3ccccc23)C1 |
MW: | 393.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 54.46 |
cLogP: | 3.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-89b52b17-3
ADA-UCB-dc2b944c-4
0.691
MIC-UNK-89b52b17-3
0.677
MIC-UNK-89b52b17-1
0.578
DAR-DIA-0d514e7d-30
0.566
DAR-DIA-0d514e7d-29
0.559
DAR-DIA-0d514e7d-28
0.559
MAT-POS-2905de8c-3
0.550
EDG-MED-971238d3-11
0.539
MAT-POS-2905de8c-2
0.539
VLA-UCB-1dbca3b4-14
0.535
EDJ-MED-e4b030d8-1
0.535
MAT-POS-8e4737f4-1
0.535
EDJ-MED-e4b030d8-13
0.535
DAR-DIA-6a508060-10
0.535
BEN-DND-a7517465-4
0.535
EDG-MED-90036822-86
0.534
MIC-UNK-89b52b17-2
0.533
MAR-UCB-6ab2ec87-3
0.529
PET-UNK-407a74a5-5
0.524
MAT-POS-3b97339c-2
0.524
EDG-MED-971238d3-4
0.524
MAT-POS-2905de8c-1
0.524
EDG-MED-90036822-83
0.522
EDG-MED-971238d3-1
0.520
MAT-POS-9db1e783-1
0.520
EDG-MED-90036822-63
0.519
EDG-MED-971238d3-2
0.514
EDJ-MED-d08626de-2
0.514
EDJ-MED-d08626de-1
0.514
PET-UNK-29afea89-2
0.514
EDG-MED-0e5afe9d-3
0.514
MAT-POS-9db1e783-2
0.514
MIC-UNK-6e9f8a43-2
0.509
PET-UNK-824b5c6a-1
0.509
MAT-POS-45b13633-2
0.505
MAT-POS-e6dd326d-2
0.505
EDG-MED-90036822-29
0.505
EDG-MED-90036822-28
0.505
PET-UNK-824b5c6a-3
0.505
RAL-THA-e002e396-2
0.505
EDG-MED-90036822-9
0.505
EDG-MED-90036822-75
0.504
EDG-MED-90036822-74
0.504
EDG-MED-90036822-13
0.500
EDJ-MED-6d9ff7d0-10
0.500
DAR-DIA-ecdbc7dd-2
0.500
MAT-POS-e6dd326d-4
0.500
EDG-MED-ba1ac7b9-30
0.500
MAT-POS-e119ab4f-4
0.500
EDJ-MED-28ec730d-2
0.495
EDG-MED-90036822-10
0.495
EDG-MED-90036822-11
0.495
MAT-POS-5d65ec79-1
0.495
MAT-POS-f9802937-3
0.495
MAT-POS-f9802937-4
0.495
DAR-DIA-ecdbc7dd-13
0.495
EDG-MED-90036822-2
0.495
MAT-POS-45b13633-3
0.495
MAT-POS-e6dd326d-3
0.495
MAT-POS-2bb0cf2b-1
0.495
MAT-POS-45b13633-1
0.495
MAT-POS-e6dd326d-1
0.495
PET-UNK-29afea89-1
0.495
EDG-MED-971238d3-5
0.495
MAT-POS-2e8b2191-4
0.495
EDJ-MED-6d9ff7d0-4
0.491
RAL-THA-e002e396-12
0.491
EDG-MED-90036822-21
0.491
EDG-MED-90036822-34
0.491
MAT-POS-e6dd326d-8
0.491
EDJ-MED-6d9ff7d0-9
0.491
RAL-THA-e002e396-1
0.491
RAL-THA-e002e396-11
0.491
EDG-MED-90036822-100
0.491
MAT-POS-83f73d0a-3
0.491
EDG-MED-90036822-65
0.487
MAT-POS-e6dd326d-7
0.487
EDG-MED-4c68219f-16
0.487
EDG-MED-90036822-16
0.487
EDG-MED-90036822-62
0.487
EDG-MED-90036822-15
0.487
EDG-MED-90036822-17
0.487
EDG-MED-90036822-47
0.487
EDG-MED-90036822-48
0.487
MAT-POS-e6dd326d-6
0.487
EDG-MED-90036822-24
0.486
MAT-POS-5d65ec79-2
0.486
EDG-MED-971238d3-7
0.486
DAR-DIA-ecdbc7dd-4
0.486
EDJ-MED-f893e2a1-8
0.486
MAT-POS-e6dd326d-9
0.486
EDG-MED-971238d3-8
0.486
MAT-POS-f9802937-6
0.486
MAT-POS-f9802937-5
0.486
EDG-MED-971238d3-6
0.486
EDG-MED-971238d3-9
0.486
JAG-UCB-706446eb-3
0.486
DAR-DIA-e7614d05-1
0.486
EDG-MED-971238d3-10
0.486
PET-UNK-bcc8fd08-1
0.486