Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1)C(F)(F)c1cccc(Cl)c1 |
MW: | 312.06 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 3.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
NAU-LAT-e1818702-1
0.534
JAN-GHE-f4ca5a00-12
0.534
NAU-LAT-e1818702-3
0.506
BRU-CON-67e07230-1
0.506
NAU-LAT-e1818702-6
0.487
NAU-LAT-e1818702-2
0.487
NAU-LAT-e1818702-5
0.458
JAN-GHE-f4ca5a00-11
0.452
JAN-GHE-83b26c96-23
0.430
EDG-MED-fe7487f8-4
0.419
JAN-GHE-299e5c7e-3
0.417
ANT-OPE-bf404da3-1
0.402
JAN-GHE-f4ca5a00-6
0.402
RAL-THA-5ed3c24e-3
0.398
JAG-UCB-c61058a9-18
0.395
NAU-LAT-8502cac5-2
0.395
MIC-UNK-deda7a44-5
0.395
BAR-COM-0f94fc3d-24
0.388
RAL-THA-5ed3c24e-1
0.386
EDG-MED-fe7487f8-10
0.386
ERI-UCB-9c7ec71b-1
0.386
JOH-UNI-9ad7e798-1
0.386
JAN-GHE-f4ca5a00-4
0.386
MIK-NEW-7f99bfc4-1
0.385
RAL-THA-f8a0f917-3
0.385
EDG-MED-fe7487f8-2
0.385
EDG-MED-4b32601a-1
0.385
JOH-UNI-766085ab-1
0.385
JAG-UCB-a3ef7265-20
0.382
MAT-POS-968e8d9c-1
0.382
JAG-UCB-119787ef-1
0.382
NAU-LAT-8502cac5-3
0.382
JAG-UCB-c61058a9-8
0.382
NAU-LAT-8502cac5-4
0.378
JAN-GHE-299e5c7e-5
0.375
RAL-THA-5ed3c24e-2
0.374
EDG-MED-fe7487f8-7
0.372
MIK-NEW-9ae4bfeb-1
0.370
BRU-THA-a358fbdd-4
0.370
EDG-MED-fe7487f8-6
0.370
EDG-MED-fe7487f8-11
0.370
JAG-UCB-c61058a9-12
0.370
BRU-THA-a358fbdd-7
0.368
EDG-MED-fe7487f8-5
0.366
JOH-UNI-04a01eac-1
0.363
JAN-GHE-299e5c7e-1
0.362
JAN-GHE-299e5c7e-4
0.361
ANT-OPE-7b52af4b-1
0.360
EDJ-MED-fb79a796-2
0.354
NAU-LAT-e1818702-11
0.353
MIC-UNK-4ce148f7-4
0.352
EDJ-MED-2c295496-1
0.352
EDJ-MED-0e996074-1
0.352
JAG-UCB-c61058a9-15
0.352
JAG-UCB-c61058a9-19
0.348
MIC-UNK-4ce148f7-2
0.347
MIC-UNK-4ce148f7-3
0.347
JAG-UCB-a3ef7265-19
0.345
ERI-UCB-9c7ec71b-4
0.344
JAN-GHE-299e5c7e-2
0.343
BRU-THA-a358fbdd-2
0.341
ANT-OPE-06da2058-1
0.341
RAL-THA-6ca1b233-4
0.340
EDJ-MED-fb79a796-1
0.340
NAU-LAT-8502cac5-8
0.337
RAL-THA-f8a0f917-1
0.337
JAG-UCB-c61058a9-17
0.337
BRU-THA-a358fbdd-1
0.337
BRU-THA-a358fbdd-3
0.337
BRU-THA-a358fbdd-6
0.337
JAG-UCB-c61058a9-31
0.337
PAU-WIS-d4065696-3
0.337
MIC-UNK-deda7a44-4
0.336
BAR-COM-ace1b61b-1
0.333
BAR-COM-ace1b61b-2
0.333
MAT-POS-e478a234-1
0.333
MIC-UNK-deda7a44-3
0.330
MIC-UNK-deda7a44-2
0.330
BAR-COM-ace1b61b-3
0.330
RAL-THA-f8a0f917-2
0.330
ADA-UCB-b1b30a00-9
0.330
MIC-UNK-deda7a44-1
0.327
ADA-UCB-b1b30a00-5
0.327
JAG-UCB-c61058a9-37
0.327
JAG-UCB-c61058a9-34
0.326
NAU-LAT-8502cac5-5
0.326
BRU-THA-a358fbdd-5
0.326
MIC-UNK-4ce148f7-1
0.324
EDJ-MED-fb79a796-3
0.324
BAR-COM-ace1b61b-4
0.323
ROB-UNI-569bc02e-1
0.323
ADA-UCB-b1b30a00-7
0.323
EDG-MED-a20b5824-1
0.323
RAL-THA-6ca1b233-3
0.323
MIC-UNK-deda7a44-8
0.321
BAR-COM-df4db19c-1
0.320
JAG-UCB-c61058a9-40
0.320
ALP-POS-beec22ab-1
0.320
ADA-UCB-b1b30a00-10
0.320
MAK-UNK-ec98eaf6-13
0.318