Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)[C@@H]1CCOc2c(OC3COC3)cc(Cl)cc21 |
MW: | 390.11 |
Fraction sp3: | 0.5 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 87.5 |
cLogP: | 2.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
MAT-POS-e478a234-1
0.768
ADA-UCB-b1b30a00-10
0.759
ALP-POS-beec22ab-1
0.759
BAR-COM-df4db19c-1
0.759
JAG-UCB-c61058a9-40
0.759
BAR-COM-ace1b61b-1
0.667
BAR-COM-ace1b61b-4
0.591
BAR-COM-ace1b61b-2
0.585
JAG-UCB-c61058a9-38
0.579
JAG-UCB-c61058a9-39
0.561
EDJ-MED-e4b030d8-4
0.550
JAG-UCB-a3ef7265-20
0.538
MAT-POS-968e8d9c-1
0.538
JAG-UCB-119787ef-1
0.538
BRU-THA-a358fbdd-7
0.511
ERI-UCB-9c7ec71b-4
0.495
EDG-MED-fe7487f8-8
0.495
RAL-THA-6ca1b233-1
0.479
JAG-UCB-c61058a9-34
0.479
JAG-UCB-c61058a9-35
0.475
BRU-THA-a358fbdd-3
0.474
JAG-UCB-c61058a9-17
0.474
ROB-UNI-569bc02e-1
0.465
ADA-UCB-b1b30a00-7
0.465
EDG-MED-fe7487f8-3
0.464
EDJ-MED-2c295496-1
0.462
JAN-GHE-299e5c7e-3
0.462
EDJ-MED-0e996074-1
0.462
EDG-MED-fe7487f8-1
0.459
EDG-MED-4b32601a-2
0.459
ANT-OPE-3d7cb11b-3
0.459
RAL-THA-6ca1b233-4
0.459
EDG-MED-a20b5824-1
0.458
RAL-THA-6ca1b233-3
0.458
JAG-UCB-c61058a9-18
0.457
MIC-UNK-deda7a44-5
0.457
NAU-LAT-8502cac5-2
0.457
ERI-UCB-a38d41be-1
0.450
RAL-THA-6ca1b233-2
0.449
JAG-UCB-c61058a9-37
0.438
ANT-OPE-66a89c65-2
0.433
RAL-THA-5ed3c24e-1
0.433
EDG-MED-fe7487f8-4
0.433
EDG-MED-fe7487f8-11
0.430
JOH-UNI-04a01eac-1
0.424
RAL-THA-f8a0f917-2
0.420
JOH-UNI-d0d90dc1-3
0.420
VLA-UCB-05e51b3f-11
0.420
VLA-UCB-50c39ae8-8
0.420
DAR-DIA-23e5a6a0-13
0.420
EDG-MED-fe7487f8-10
0.418
ANT-OPE-06da2058-1
0.418
RAL-THA-f8a0f917-1
0.414
RAL-THA-5ed3c24e-3
0.414
ANT-OPE-3d7cb11b-4
0.414
JAG-UCB-c61058a9-21
0.414
JAG-UCB-c61058a9-19
0.412
EDG-MED-fe7487f8-5
0.412
DAR-DIA-23e5a6a0-15
0.411
DAR-DIA-23e5a6a0-14
0.409
RAL-THA-5ed3c24e-2
0.406
DAR-DIA-23e5a6a0-3
0.405
DAR-DIA-23e5a6a0-12
0.404
NAU-LAT-8502cac5-8
0.402
RAL-THA-f8a0f917-3
0.402
MIK-NEW-7f99bfc4-1
0.402
RAL-THA-05e671eb-19
0.402
MAT-POS-43fe65f4-1
0.402
EDJ-MED-e4b030d8-7
0.402
DAR-DIA-6a508060-4
0.402
DAR-DIA-23e5a6a0-11
0.400
JAG-UCB-c61058a9-32
0.396
DAR-DIA-23e5a6a0-5
0.393
DAR-DIA-23e5a6a0-4
0.392
JAN-GHE-f4ca5a00-6
0.389
EDG-MED-fe7487f8-2
0.388
EDG-MED-4b32601a-1
0.388
DAR-DIA-23e5a6a0-2
0.387
NAU-LAT-8502cac5-3
0.386
LAU-MED-88a3970a-3
0.386
LAU-MED-88a3970a-4
0.386
DAR-DIA-23e5a6a0-1
0.383
ANT-OPE-7b52af4b-1
0.381
JAN-GHE-299e5c7e-5
0.380
EDJ-MED-fb79a796-2
0.373
MAT-POS-5369c344-4
0.372
DAR-DIA-0587064e-12
0.372
DAR-DIA-0587064e-15
0.368
MAT-POS-5369c344-1
0.368
KAD-UNI-877d7bed-4
0.368
LAU-MED-88a3970a-2
0.368
LAU-MED-88a3970a-1
0.368
JAN-GHE-299e5c7e-4
0.367
RAL-THA-b74298ba-1
0.366
DAR-DIA-0587064e-17
0.365
MAT-POS-5369c344-2
0.364
MAT-POS-5369c344-3
0.364
DAR-DIA-0587064e-19
0.364
DAR-DIA-0587064e-10
0.364
NAU-LAT-8502cac5-5
0.363