Molecular Properties | |
SMILES: | O=C(Nc1cncn1C1CC1)C1(F)CCOc2ccc(Cl)cc21 |
MW: | 335.08 |
Fraction sp3: | 0.38 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-766085ab-1
0.643
JOH-UNI-04a01eac-4
0.632
JOH-UNI-d0d90dc1-2
0.573
JOH-UNI-d0d90dc1-5
0.538
PET-UNK-407a74a5-5
0.505
RAL-THA-3d7a794f-1
0.495
PET-UNK-3e029fdc-1
0.495
PET-UNK-407a74a5-15
0.490
EDG-MED-fe7487f8-6
0.468
BRU-THA-a358fbdd-4
0.468
MIK-NEW-9ae4bfeb-1
0.468
EDG-MED-fe7487f8-7
0.424
PET-UNK-8df914d1-5
0.420
JOH-UNI-04a01eac-3
0.418
PAU-WIS-d4065696-3
0.413
MIC-UNK-4ce148f7-4
0.413
MIC-UNK-4ce148f7-3
0.410
MAR-UCB-fd2e172f-8
0.404
EDJ-MED-d2def222-2
0.400
MIC-UNK-4ce148f7-2
0.396
MIC-UNK-deda7a44-3
0.391
MIC-UNK-4ce148f7-1
0.385
MIC-UNK-deda7a44-4
0.383
MAR-UCB-fd2e172f-19
0.379
MIC-UNK-deda7a44-2
0.378
MIC-UNK-deda7a44-1
0.375
ADA-UCB-b1b30a00-5
0.375
EDJ-MED-d2def222-1
0.374
EDG-MED-fe7487f8-12
0.373
MIC-UNK-deda7a44-8
0.368
MAR-UCB-fd2e172f-17
0.364
MAR-UCB-fd2e172f-27
0.364
MAR-UCB-fd2e172f-18
0.364
PET-UNK-824b5c6a-3
0.364
ADA-UCB-b1b30a00-4
0.363
MAR-UCB-fd2e172f-21
0.362
PET-UNK-c761fc18-1
0.361
MAR-UCB-fd2e172f-34
0.361
MAR-UCB-fd2e172f-31
0.361
MAR-UCB-fd2e172f-36
0.361
JAN-GHE-299e5c7e-1
0.359
JOH-UNI-ea72002d-5
0.357
MIC-UNK-d58dbb53-3
0.355
JAN-GHE-299e5c7e-2
0.355
EDJ-MED-ee742daa-1
0.352
EDJ-MED-611d11e7-4
0.352
PET-UNK-f4e47ebd-17
0.352
PET-UNK-0df12184-1
0.352
MAT-POS-ec6d90b7-4
0.352
EDJ-MED-611d11e7-10
0.352
MIC-UNK-6e9f8a43-2
0.352
MAT-POS-a5ef2d74-2
0.352
MAT-POS-a5ef2d74-3
0.352
MAR-UCB-fd2e172f-15
0.351
MAR-UCB-fd2e172f-43
0.351
EDG-MED-21720aac-1
0.349
MAR-UCB-fd2e172f-40
0.349
MAR-UCB-fd2e172f-14
0.349
JOH-UNI-6e27fddc-1
0.349
MIC-UNK-ddc6ad53-1
0.348
EDG-MED-21720aac-9
0.348
EDJ-MED-28ec730d-3
0.348
MIC-UNK-deda7a44-9
0.347
ALP-POS-5de921e7-1
0.346
ALP-POS-5de921e7-5
0.346
PET-UNK-b38839dc-18
0.346
MAR-UCB-fd2e172f-41
0.346
PET-UNK-0df12184-2
0.346
DAR-DIA-e7614d05-2
0.345
ALP-POS-93b3621f-1
0.345
DAR-DIA-e7614d05-3
0.345
MAR-UCB-fd2e172f-5
0.345
DAR-DIA-e7614d05-1
0.345
MAR-UCB-fd2e172f-35
0.345
MAR-UCB-fd2e172f-38
0.345
MIC-UNK-d58dbb53-2
0.345
EDG-MED-21720aac-5
0.344
BEN-DND-a7517465-4
0.343
MAT-POS-8e4737f4-1
0.343
EDJ-MED-e4b030d8-13
0.343
DAR-DIA-6a508060-10
0.343
EDG-MED-a20b5824-2
0.343
EDG-MED-0e5afe9d-3
0.343
MAR-UCB-fd2e172f-16
0.343
EDJ-MED-e78d5f1a-1
0.343
EDJ-MED-d08626de-2
0.343
EDJ-MED-d08626de-1
0.343
PET-UNK-c761fc18-5
0.343
PET-UNK-29afea89-2
0.343
MAR-UCB-fd2e172f-24
0.343
PET-UNK-0df12184-5
0.343
JOH-UNI-99d163e5-2
0.343
ALP-POS-e6e0c683-2
0.343
MAR-UCB-fd2e172f-22
0.343
PET-UNK-f4e47ebd-19
0.342
ALP-POS-6f6ae286-3
0.342
MAR-UCB-fd2e172f-26
0.342
PET-UNK-ee8352fa-1
0.342
PET-UNK-5d7c542f-1
0.342
PET-UNK-10c83c8b-1
0.342