Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1F)C1CCOc2ccc(Cl)c(F)c21 |
MW: | 354.07 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-04a01eac-1
0.811
JOH-UNI-d0d90dc1-4
0.667
RAL-THA-f8a0f917-1
0.583
JOH-UNI-04a01eac-3
0.575
RAL-THA-f8a0f917-2
0.570
JOH-UNI-d0d90dc1-3
0.552
RAL-THA-05e671eb-28
0.489
JAG-UCB-c61058a9-21
0.478
JAG-UCB-119787ef-1
0.430
MAT-POS-968e8d9c-1
0.430
JAG-UCB-a3ef7265-20
0.430
JAG-UCB-c61058a9-32
0.424
RAL-THA-6ca1b233-4
0.417
EDG-MED-a20b5824-1
0.415
RAL-THA-6ca1b233-3
0.415
ERI-UCB-a38d41be-1
0.408
ERI-UCB-9c7ec71b-4
0.406
EDG-MED-fe7487f8-8
0.406
JAG-UCB-c61058a9-34
0.404
EDJ-MED-0e996074-1
0.402
EDJ-MED-2c295496-1
0.402
BRU-THA-a358fbdd-3
0.400
JAG-UCB-c61058a9-17
0.400
JOH-UNI-d0d90dc1-2
0.394
RAL-THA-6ca1b233-2
0.392
EDG-MED-fe7487f8-3
0.392
RAL-THA-6ca1b233-1
0.392
EDG-MED-fe7487f8-1
0.388
EDG-MED-4b32601a-2
0.388
ANT-OPE-3d7cb11b-3
0.388
BRU-THA-a358fbdd-7
0.387
JAG-UCB-c61058a9-37
0.385
ADA-UCB-b1b30a00-7
0.382
ROB-UNI-569bc02e-1
0.382
JAG-UCB-c61058a9-35
0.376
ANT-OPE-66a89c65-2
0.375
ANT-OPE-3d7cb11b-4
0.371
MIC-UNK-deda7a44-5
0.368
NAU-LAT-8502cac5-2
0.368
JAG-UCB-c61058a9-18
0.368
RAL-THA-b74298ba-1
0.351
ANT-OPE-06da2058-1
0.347
ERI-UCB-9c7ec71b-1
0.347
JOH-UNI-9ad7e798-1
0.347
JAN-GHE-f4ca5a00-4
0.347
MIK-NEW-7f99bfc4-1
0.347
RAL-THA-f8a0f917-3
0.347
MAT-UCB-70f7c0f7-6
0.346
RAL-THA-04c5403f-2
0.346
RAL-THA-05e671eb-31
0.346
EDG-MED-fe7487f8-9
0.343
RAL-THA-b74298ba-3
0.343
ANT-OPE-66a89c65-1
0.340
JAG-UCB-c61058a9-19
0.340
BAR-COM-ace1b61b-1
0.340
MAT-POS-e478a234-1
0.340
EDJ-MED-e4b030d8-10
0.337
RAL-THA-05e671eb-27
0.337
BAR-COM-ace1b61b-3
0.336
RAL-THA-05e671eb-29
0.333
EDJ-MED-e4b030d8-8
0.333
RAL-THA-b74298ba-2
0.333
EDG-MED-fe7487f8-11
0.333
BAR-COM-ace1b61b-4
0.330
BAR-COM-df4db19c-1
0.327
JAG-UCB-c61058a9-40
0.327
ADA-UCB-b1b30a00-10
0.327
ALP-POS-beec22ab-1
0.327
JAG-UCB-c61058a9-39
0.327
BAR-COM-ace1b61b-2
0.327
RAL-THA-b74298ba-4
0.327
RAL-THA-05e671eb-30
0.324
MAR-UCB-9ef021e0-1
0.324
JAG-UCB-c61058a9-12
0.320
JOH-UNI-766085ab-1
0.320
RAL-THA-5ed3c24e-1
0.320
NAU-LAT-8502cac5-5
0.320
BRU-THA-a358fbdd-5
0.320
RAL-THA-5ed3c24e-3
0.317
NAU-LAT-8502cac5-3
0.317
JAN-GHE-299e5c7e-3
0.316
ANT-OPE-7b52af4b-1
0.309
EDG-MED-fe7487f8-2
0.308
EDG-MED-fe7487f8-6
0.308
MIK-NEW-9ae4bfeb-1
0.308
BRU-THA-a358fbdd-4
0.308
EDG-MED-4b32601a-1
0.308
JAG-UCB-c61058a9-16
0.308
EDG-MED-fe7487f8-4
0.307
EDG-MED-fe7487f8-10
0.307
JAG-UCB-52b62a6f-2
0.306
RAL-THA-05e671eb-32
0.305
MIC-UNK-4ce148f7-3
0.304
NAU-LAT-8502cac5-8
0.303
JAG-UCB-c61058a9-15
0.303
JAN-GHE-299e5c7e-4
0.303
JAN-GHE-299e5c7e-5
0.303
RAL-THA-05e671eb-33
0.302
JAG-UCB-c61058a9-38
0.300
EDG-MED-fe7487f8-7
0.299