Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccc(Cl)cc12)C1(O)CCCOc2ccc(Cl)cc21 |
MW: | 402.05 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.45 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALF-EVA-82cf4849-4
0.667
EDG-MED-971238d3-1
0.636
MAT-POS-9db1e783-1
0.636
EDG-MED-10fcb19e-4
0.525
MAT-POS-24589f88-1
0.490
EDJ-MED-611d11e7-7
0.490
MAT-POS-96f51285-1
0.490
MAT-POS-a5ef2d74-2
0.490
EDJ-MED-611d11e7-4
0.490
MAT-POS-ec6d90b7-4
0.490
ALF-EVA-5b152d2f-3
0.490
MAT-POS-8e4737f4-1
0.485
DAR-DIA-6a508060-10
0.485
BEN-DND-a7517465-4
0.485
EDJ-MED-e4b030d8-13
0.485
PET-UNK-bcc8fd08-2
0.476
PET-UNK-ee8352fa-1
0.476
EDG-MED-10fcb19e-5
0.472
MAT-POS-96f51285-2
0.471
EDJ-MED-611d11e7-1
0.471
EDG-MED-90036822-86
0.470
MAT-POS-2905de8c-3
0.469
PET-UNK-a7639856-1
0.467
EDG-MED-10fcb19e-1
0.467
MAT-POS-9db1e783-2
0.465
EDG-MED-971238d3-2
0.465
ALF-EVA-82cf4849-13
0.463
ALP-POS-93b3621f-3
0.462
DAR-DIA-ecdbc7dd-13
0.462
MAT-POS-e6dd326d-1
0.461
MAT-POS-45b13633-1
0.461
PET-UNK-29afea89-1
0.461
EDG-MED-971238d3-5
0.461
MAT-POS-2bb0cf2b-1
0.461
EDG-MED-971238d3-4
0.460
EDG-MED-971238d3-11
0.460
PET-UNK-407a74a5-5
0.460
MAT-POS-2905de8c-2
0.460
MAT-POS-2905de8c-1
0.460
MAT-POS-3b97339c-2
0.460
ALF-EVA-82cf4849-8
0.458
RAL-THA-e002e396-2
0.457
RAL-THA-e002e396-11
0.457
MAT-POS-e6dd326d-2
0.456
MAT-POS-45b13633-2
0.456
EDG-MED-10fcb19e-3
0.454
ALF-EVA-82cf4849-11
0.454
EDG-MED-90036822-44
0.454
DAR-DIA-ecdbc7dd-4
0.453
EDJ-MED-f893e2a1-8
0.453
RAL-THA-58fba2bc-3
0.452
RAL-THA-58fba2bc-1
0.452
EDG-MED-971238d3-10
0.452
DAR-DIA-e7614d05-1
0.452
DAR-DIA-e7614d05-2
0.452
ALP-POS-93b3621f-1
0.452
DAR-DIA-e7614d05-3
0.452
MAT-POS-45b13633-4
0.452
EDG-MED-971238d3-9
0.452
JAG-UCB-706446eb-3
0.452
EDG-MED-971238d3-3
0.452
EDG-MED-971238d3-6
0.452
EDG-MED-0e5afe9d-3
0.451
EDJ-MED-d08626de-2
0.451
PET-UNK-29afea89-2
0.451
EDJ-MED-d08626de-1
0.451
EDJ-MED-424a8a89-2
0.449
MAT-POS-45b13633-3
0.448
MAT-POS-e6dd326d-3
0.448
PET-UNK-f4e47ebd-17
0.447
EDJ-MED-611d11e7-10
0.447
MAT-POS-a5ef2d74-3
0.447
MIC-UNK-6e9f8a43-2
0.447
RAL-THA-e002e396-5
0.444
ALP-POS-477dc5b7-3
0.444
DAR-DIA-ecdbc7dd-3
0.444
MAT-POS-e6dd326d-11
0.444
RAL-THA-e002e396-1
0.443
EDG-MED-90036822-100
0.443
ALF-EVA-82cf4849-12
0.441
EDJ-MED-f893e2a1-3
0.441
RAL-THA-e002e396-7
0.440
EDG-MED-90036822-48
0.440
EDG-MED-90036822-47
0.440
EDJ-MED-e4b030d8-1
0.440
VLA-UCB-1dbca3b4-14
0.440
DAR-DIA-0d514e7d-30
0.440
EDG-MED-971238d3-8
0.439
MAT-POS-e6dd326d-4
0.439
MAT-POS-e6dd326d-9
0.439
EDG-MED-971238d3-7
0.439
MAT-POS-f9802937-5
0.439
MAT-POS-f9802937-6
0.439
MAT-POS-5d65ec79-2
0.439
RAL-THA-e002e396-6
0.439
PET-UNK-bcc8fd08-1
0.438
EDG-MED-90036822-13
0.438
PET-UNK-49566573-3
0.438
DAR-DIA-ecdbc7dd-11
0.436
RAL-THA-e002e396-13
0.436