Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)[C@@H]1CCOc2c(C3COC3)cc(Cl)cc21 |
MW: | 374.11 |
Fraction sp3: | 0.5 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.27 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
BAR-COM-ace1b61b-3
0.667
MAT-POS-e478a234-1
0.647
BAR-COM-ace1b61b-4
0.644
BAR-COM-ace1b61b-2
0.618
BAR-COM-df4db19c-1
0.591
JAG-UCB-c61058a9-40
0.591
ADA-UCB-b1b30a00-10
0.591
JAG-UCB-c61058a9-39
0.591
ALP-POS-beec22ab-1
0.591
JAG-UCB-119787ef-1
0.588
JAG-UCB-a3ef7265-20
0.588
MAT-POS-968e8d9c-1
0.588
BRU-THA-a358fbdd-7
0.541
EDG-MED-fe7487f8-8
0.539
ERI-UCB-9c7ec71b-4
0.539
EDJ-MED-e4b030d8-5
0.526
JAN-GHE-299e5c7e-3
0.506
JAG-UCB-c61058a9-34
0.506
ROB-UNI-569bc02e-1
0.505
ADA-UCB-b1b30a00-7
0.505
JAG-UCB-c61058a9-18
0.500
MIC-UNK-deda7a44-5
0.500
NAU-LAT-8502cac5-2
0.500
JAG-UCB-c61058a9-17
0.500
BRU-THA-a358fbdd-3
0.500
ERI-UCB-a38d41be-1
0.489
EDG-MED-fe7487f8-3
0.489
RAL-THA-6ca1b233-1
0.489
RAL-THA-6ca1b233-2
0.489
EDJ-MED-2c295496-1
0.489
EDJ-MED-0e996074-1
0.489
EDG-MED-fe7487f8-1
0.484
EDG-MED-4b32601a-2
0.484
ANT-OPE-3d7cb11b-3
0.484
EDG-MED-a20b5824-1
0.484
RAL-THA-6ca1b233-3
0.484
JAG-UCB-c61058a9-38
0.480
EDG-MED-fe7487f8-11
0.468
RAL-THA-6ca1b233-4
0.468
JOH-UNI-d0d90dc1-3
0.457
EDG-MED-fe7487f8-4
0.457
RAL-THA-5ed3c24e-1
0.457
ANT-OPE-66a89c65-2
0.457
JAG-UCB-c61058a9-35
0.454
RAL-THA-f8a0f917-3
0.453
MIK-NEW-7f99bfc4-1
0.453
JAG-UCB-c61058a9-21
0.452
JAG-UCB-c61058a9-37
0.446
RAL-THA-f8a0f917-2
0.442
EDG-MED-fe7487f8-10
0.441
ANT-OPE-06da2058-1
0.441
RAL-THA-f8a0f917-1
0.436
ANT-OPE-3d7cb11b-4
0.436
JAG-UCB-c61058a9-19
0.435
EDG-MED-fe7487f8-5
0.433
JOH-UNI-04a01eac-1
0.432
RAL-THA-5ed3c24e-2
0.427
EDG-MED-fe7487f8-2
0.423
EDG-MED-4b32601a-1
0.423
RAL-THA-5ed3c24e-3
0.421
ANT-OPE-7b52af4b-1
0.418
JAG-UCB-c61058a9-32
0.416
NAU-LAT-8502cac5-8
0.409
NAU-LAT-8502cac5-3
0.406
RAL-THA-b74298ba-3
0.406
EDG-MED-fe7487f8-9
0.406
EDJ-MED-fb79a796-2
0.404
RAL-THA-b74298ba-1
0.400
JAN-GHE-299e5c7e-4
0.398
JAN-GHE-299e5c7e-5
0.398
RAL-THA-b74298ba-4
0.386
NAU-LAT-8502cac5-5
0.381
ERI-UCB-9c7ec71b-1
0.381
JOH-UNI-9ad7e798-1
0.381
JAN-GHE-f4ca5a00-4
0.381
BRU-THA-a358fbdd-5
0.381
JAN-GHE-f4ca5a00-6
0.380
RAL-THA-b74298ba-2
0.380
JAG-UCB-c61058a9-12
0.380
NAU-LAT-8502cac5-11
0.378
EDJ-MED-fb79a796-1
0.377
EDJ-MED-fb79a796-3
0.373
NAU-LAT-e1818702-5
0.371
EDG-MED-fe7487f8-6
0.366
MIK-NEW-9ae4bfeb-1
0.366
BRU-THA-a358fbdd-4
0.366
MAT-UCB-70f7c0f7-6
0.365
RAL-THA-04c5403f-2
0.365
JAG-UCB-c61058a9-8
0.364
NAU-LAT-e1818702-1
0.363
JAN-GHE-f4ca5a00-12
0.363
NAU-LAT-e1818702-3
0.362
NAU-LAT-8502cac5-4
0.359
JAG-UCB-c61058a9-44
0.356
JOH-UNI-766085ab-1
0.353
EDJ-MED-e4b030d8-4
0.351
JAG-UCB-c61058a9-15
0.351
NAU-LAT-e1818702-6
0.351
RAL-THA-05e671eb-18
0.349
RAL-THA-05e671eb-17
0.349