Molecular Properties | |
SMILES: | C[C@@H]1COc2ccc(Cl)cc2[C@]1(C)C(=O)Nc1cncc2ccccc12 |
MW: | 366.11 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-29
1.000
DAR-DIA-0d514e7d-25
0.638
DAR-DIA-0d514e7d-26
0.638
DAR-DIA-0d514e7d-30
0.622
EDG-MED-971238d3-11
0.609
VLA-UCB-1dbca3b4-14
0.604
EDJ-MED-e4b030d8-1
0.604
MAT-POS-8e4737f4-1
0.604
DAR-DIA-6a508060-10
0.604
EDJ-MED-e4b030d8-13
0.604
BEN-DND-a7517465-4
0.604
MIC-UNK-89b52b17-1
0.600
MIC-UNK-89b52b17-3
0.600
ADA-UCB-dc2b944c-4
0.596
MAT-POS-2905de8c-3
0.587
MIC-UNK-89b52b17-2
0.582
MAR-UCB-6ab2ec87-3
0.581
MAT-POS-2905de8c-2
0.574
EDG-MED-971238d3-1
0.570
MAT-POS-9db1e783-1
0.570
EDG-MED-90036822-86
0.568
EDG-MED-0e5afe9d-3
0.562
EDJ-MED-d08626de-2
0.562
PET-UNK-29afea89-2
0.562
EDJ-MED-d08626de-1
0.562
MIC-UNK-f792ef5d-1
0.559
PET-UNK-407a74a5-5
0.558
MAT-POS-3b97339c-2
0.558
EDG-MED-971238d3-4
0.558
MAT-POS-2905de8c-1
0.558
MIC-UNK-6e9f8a43-2
0.557
MAT-POS-45b13633-2
0.551
MAT-POS-e6dd326d-2
0.551
EDG-MED-971238d3-2
0.546
MAT-POS-9db1e783-2
0.546
MAT-POS-2e8b2191-4
0.542
MAT-POS-45b13633-1
0.541
MAT-POS-2bb0cf2b-1
0.541
MAT-POS-e6dd326d-1
0.541
EDG-MED-971238d3-5
0.541
PET-UNK-29afea89-1
0.541
DAR-DIA-ecdbc7dd-13
0.540
MAT-POS-e6dd326d-3
0.540
MAT-POS-45b13633-3
0.540
PET-UNK-824b5c6a-1
0.540
EDJ-MED-28ec730d-2
0.539
RAL-THA-e002e396-1
0.535
RAL-THA-e002e396-11
0.535
PET-UNK-824b5c6a-3
0.535
EDG-MED-90036822-28
0.535
EDG-MED-90036822-29
0.535
RAL-THA-e002e396-2
0.535
PET-UNK-3bb57da2-1
0.534
MAT-POS-8a69d52e-4
0.531
MAT-POS-8a69d52e-6
0.531
ADA-UCB-dc2b944c-13
0.531
BRU-THA-01b12488-1
0.531
MAT-POS-2e8b2191-5
0.531
EDJ-MED-e4b030d8-11
0.531
MAT-POS-8a69d52e-5
0.531
ADA-UCB-dc2b944c-14
0.531
MAT-POS-8a69d52e-7
0.531
MAT-POS-e119ab4f-4
0.531
RAL-THA-58fba2bc-1
0.530
EDG-MED-971238d3-6
0.530
PET-UNK-bcc8fd08-1
0.530
RAL-THA-58fba2bc-3
0.530
EDG-MED-971238d3-10
0.530
EDG-MED-90036822-13
0.530
MAT-POS-45b13633-4
0.530
JAG-UCB-706446eb-3
0.530
EDG-MED-971238d3-3
0.530
EDG-MED-971238d3-9
0.530
DAR-DIA-e7614d05-2
0.530
ALP-POS-93b3621f-1
0.530
DAR-DIA-e7614d05-3
0.530
DAR-DIA-e7614d05-1
0.530
EDJ-MED-f893e2a1-8
0.529
MAT-POS-e6dd326d-4
0.529
MAT-POS-e6dd326d-9
0.529
MAT-POS-f9802937-5
0.529
MAT-POS-f9802937-6
0.529
MAT-POS-5d65ec79-2
0.529
DAR-DIA-ecdbc7dd-4
0.529
EDG-MED-90036822-2
0.525
PET-UNK-10c83c8b-1
0.525
MAT-POS-45b13633-5
0.524
MAT-POS-f9802937-4
0.524
MAT-POS-5d65ec79-1
0.524
PET-UNK-824b5c6a-2
0.524
PET-UNK-3bb57da2-3
0.524
VLA-UCB-551c2366-1
0.524
EDG-MED-90036822-11
0.524
EDG-MED-90036822-10
0.524
FRA-DIA-13af2da5-2
0.524
EDJ-MED-424a8a89-2
0.524
MAT-POS-f9802937-3
0.524
EDG-MED-90036822-80
0.524
DAR-DIA-ecdbc7dd-5
0.524
LUO-POS-433ce175-1
0.521