Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)C1CCOc2ccc(OCC(F)(F)F)cc21 |
MW: | 382.13 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 78.27 |
cLogP: | 3.06 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JAG-UCB-c61058a9-35
0.690
RAL-THA-6ca1b233-4
0.655
EDG-MED-fe7487f8-3
0.644
MAT-POS-968e8d9c-1
0.640
RAL-THA-6ca1b233-3
0.640
JAG-UCB-119787ef-1
0.640
JAG-UCB-a3ef7265-20
0.640
JAG-UCB-c61058a9-34
0.628
RAL-THA-6ca1b233-2
0.625
EDG-MED-a20b5824-1
0.621
JAG-UCB-c61058a9-17
0.621
BRU-THA-a358fbdd-3
0.621
RAL-THA-6ca1b233-1
0.607
ERI-UCB-9c7ec71b-4
0.607
EDG-MED-fe7487f8-1
0.600
EDG-MED-4b32601a-2
0.600
ANT-OPE-3d7cb11b-3
0.600
EDJ-MED-0e996074-1
0.557
EDJ-MED-2c295496-1
0.557
EDG-MED-fe7487f8-8
0.554
ROB-UNI-569bc02e-1
0.552
ADA-UCB-b1b30a00-7
0.552
ERI-UCB-a38d41be-1
0.537
JOH-UNI-d0d90dc1-3
0.521
ANT-OPE-3d7cb11b-4
0.516
JAG-UCB-c61058a9-21
0.500
BRU-THA-a358fbdd-7
0.489
JOH-UNI-04a01eac-1
0.479
JAG-UCB-c61058a9-32
0.475
RAL-THA-f8a0f917-2
0.474
ANT-OPE-66a89c65-2
0.474
RAL-THA-b74298ba-3
0.469
EDG-MED-fe7487f8-9
0.469
RAL-THA-f8a0f917-1
0.469
JAG-UCB-c61058a9-18
0.468
NAU-LAT-8502cac5-2
0.468
MIC-UNK-deda7a44-5
0.468
RAL-THA-b74298ba-1
0.463
ANT-OPE-06da2058-1
0.458
RAL-THA-b74298ba-2
0.455
ALP-POS-beec22ab-1
0.453
BAR-COM-df4db19c-1
0.453
JAG-UCB-c61058a9-40
0.453
ADA-UCB-b1b30a00-10
0.453
JAG-UCB-c61058a9-19
0.453
MAT-POS-e478a234-1
0.446
RAL-THA-b74298ba-4
0.446
BAR-COM-ace1b61b-1
0.446
JAG-UCB-c61058a9-16
0.440
NAU-LAT-8502cac5-11
0.439
BAR-COM-ace1b61b-3
0.438
BAR-COM-ace1b61b-2
0.429
MAT-UCB-70f7c0f7-6
0.423
RAL-THA-04c5403f-2
0.423
BAR-COM-ace1b61b-4
0.419
JAG-UCB-c61058a9-39
0.413
NAU-LAT-8502cac5-8
0.412
JAN-GHE-299e5c7e-3
0.412
RAL-THA-f8a0f917-3
0.412
MIK-NEW-7f99bfc4-1
0.412
ANT-OPE-7b52af4b-1
0.406
JAG-UCB-c61058a9-44
0.402
JAN-GHE-299e5c7e-4
0.402
ERI-UCB-9c7ec71b-1
0.400
JAN-GHE-f4ca5a00-4
0.400
JOH-UNI-9ad7e798-1
0.400
EDG-MED-fe7487f8-11
0.398
NAU-LAT-8502cac5-16
0.396
NAU-LAT-8502cac5-15
0.396
ANT-OPE-66a89c65-1
0.394
ROB-UNI-569bc02e-7
0.393
RAL-THA-3d7a794f-1
0.392
PET-UNK-3e029fdc-1
0.392
EDG-MED-fe7487f8-4
0.386
RAL-THA-5ed3c24e-1
0.386
EDG-MED-fe7487f8-2
0.385
EDG-MED-4b32601a-1
0.385
JAG-UCB-c61058a9-2
0.385
JOH-UNI-d0d90dc1-1
0.385
JAG-UCB-c61058a9-12
0.385
EDG-MED-fe7487f8-5
0.381
MIC-UNK-deda7a44-6
0.381
JAG-UCB-52b62a6f-2
0.380
JAG-UCB-c61058a9-22
0.379
ANT-OPE-3d7cb11b-1
0.378
JAN-GHE-299e5c7e-5
0.376
RAL-THA-05e671eb-8
0.376
JAG-UCB-c61058a9-38
0.373
NAU-LAT-8502cac5-5
0.373
BRU-THA-a358fbdd-5
0.373
JAN-GHE-f4ca5a00-6
0.371
NAU-LAT-8502cac5-3
0.369
JAG-UCB-c61058a9-41
0.369
JAG-UCB-c61058a9-20
0.365
NAU-LAT-8502cac5-4
0.365
JOH-UNI-1b27fa5e-5
0.361
MIC-UNK-deda7a44-7
0.361
MAT-POS-8293a91a-3
0.360
JAG-UCB-52b62a6f-11
0.360
BEN-DND-c852c98b-2
0.360