Molecular Properties | |
SMILES: | O=C(Nc1nncn1C1CC1F)[C@]1(F)CCOc2ccc(Cl)cc21 |
MW: | 354.07 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 2.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-766085ab-1
0.792
JOH-UNI-d0d90dc1-5
0.663
JOH-UNI-04a01eac-2
0.573
EDG-MED-fe7487f8-6
0.551
MIK-NEW-9ae4bfeb-1
0.551
BRU-THA-a358fbdd-4
0.551
JOH-UNI-04a01eac-4
0.511
EDG-MED-fe7487f8-7
0.500
MIC-UNK-4ce148f7-2
0.480
MIC-UNK-4ce148f7-3
0.480
PET-UNK-407a74a5-5
0.474
JOH-UNI-d0d90dc1-3
0.473
PAU-WIS-d4065696-3
0.470
MIC-UNK-4ce148f7-4
0.467
PET-UNK-407a74a5-15
0.460
JAN-GHE-299e5c7e-1
0.458
MIC-UNK-deda7a44-2
0.457
MIC-UNK-deda7a44-3
0.457
MIC-UNK-4ce148f7-1
0.452
MIC-UNK-deda7a44-8
0.441
MIC-UNK-deda7a44-1
0.439
ADA-UCB-b1b30a00-5
0.439
JAN-GHE-299e5c7e-2
0.436
MIC-UNK-deda7a44-4
0.432
MIC-UNK-deda7a44-9
0.405
JOH-UNI-d0d90dc1-1
0.394
JAG-UCB-c61058a9-21
0.392
BRU-THA-a358fbdd-6
0.392
BRU-THA-a358fbdd-2
0.381
ERI-UCB-9c7ec71b-1
0.367
JAN-GHE-f4ca5a00-4
0.367
JOH-UNI-9ad7e798-1
0.367
EDG-MED-21720aac-1
0.365
JAG-UCB-a3ef7265-20
0.364
MAT-POS-968e8d9c-1
0.364
JAG-UCB-119787ef-1
0.364
BRU-THA-a358fbdd-1
0.364
JAG-UCB-c61058a9-32
0.362
EDJ-MED-d2def222-2
0.361
ERI-UCB-9c7ec71b-4
0.356
JAG-UCB-c61058a9-12
0.353
EDJ-MED-d2def222-1
0.349
MIC-UNK-deda7a44-5
0.347
NAU-LAT-8502cac5-2
0.347
JAG-UCB-c61058a9-18
0.347
ERI-UCB-a38d41be-1
0.346
EDG-MED-fe7487f8-12
0.346
JAN-GHE-299e5c7e-4
0.346
EDG-MED-21720aac-5
0.344
EDG-MED-21720aac-4
0.344
NAU-LAT-e1818702-5
0.343
EDG-MED-fe7487f8-8
0.343
EDG-MED-fe7487f8-2
0.340
EDG-MED-4b32601a-1
0.340
MAR-UCB-fd2e172f-19
0.340
VLA-UCB-53bdeed6-4
0.340
EDG-MED-21720aac-2
0.337
NAU-LAT-e1818702-6
0.337
NAU-LAT-8502cac5-3
0.337
ADA-UCB-b1b30a00-4
0.337
ROB-UNI-569bc02e-1
0.336
ADA-UCB-b1b30a00-7
0.336
JAN-GHE-299e5c7e-5
0.333
EDG-MED-21720aac-3
0.333
JOH-UNI-ea72002d-5
0.333
EDG-MED-a20b5824-2
0.330
MAR-UCB-fd2e172f-43
0.327
MAR-UCB-fd2e172f-17
0.327
MAR-UCB-fd2e172f-8
0.327
MIC-UNK-6e9f8a43-2
0.327
MIK-NEW-7f99bfc4-1
0.327
EDG-MED-fe7487f8-11
0.327
RAL-THA-f8a0f917-3
0.327
EDG-MED-21720aac-7
0.326
EDG-MED-21720aac-12
0.326
EDG-MED-21720aac-8
0.326
MAR-UCB-fd2e172f-34
0.324
MAR-UCB-fd2e172f-36
0.324
ALP-POS-5de921e7-3
0.324
JAG-UCB-c61058a9-8
0.324
MAR-UCB-fd2e172f-5
0.321
JOH-UNI-99d163e5-4
0.321
ALP-POS-5de921e7-5
0.321
CHO-MSK-a31cca77-2
0.320
EDG-MED-21720aac-6
0.319
EDG-MED-21720aac-9
0.319
EDG-MED-21720aac-11
0.319
MAR-UCB-fd2e172f-23
0.318
MAR-UCB-fd2e172f-16
0.318
JOH-UNI-99d163e5-2
0.318
DAR-DIA-6a508060-10
0.318
EDJ-MED-e4b030d8-13
0.318
MAT-POS-8e4737f4-1
0.318
BEN-DND-a7517465-4
0.318
EDG-MED-90036822-74
0.317
EDG-MED-90036822-75
0.317
EDG-MED-fe7487f8-13
0.317
MAR-UCB-fd2e172f-18
0.316
MAR-UCB-fd2e172f-1
0.315
EDJ-MED-ee742daa-1
0.315