Molecular Properties | |
SMILES: | Cc1ncc(NC(=O)C2(F)CCOc3ccc(Cl)cc32)n1C1CC1 |
MW: | 349.1 |
Fraction sp3: | 0.41 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 56.15 |
cLogP: | 3.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-04a01eac-2
0.632
JOH-UNI-766085ab-1
0.573
JOH-UNI-d0d90dc1-5
0.559
JOH-UNI-d0d90dc1-2
0.511
PET-UNK-407a74a5-5
0.480
PET-UNK-407a74a5-15
0.465
EDG-MED-fe7487f8-6
0.443
MIK-NEW-9ae4bfeb-1
0.443
BRU-THA-a358fbdd-4
0.443
MAR-UCB-fd2e172f-19
0.385
MAR-UCB-fd2e172f-17
0.383
ALP-POS-5de921e7-5
0.379
MAR-UCB-fd2e172f-5
0.376
EDG-MED-fe7487f8-7
0.375
EDJ-MED-d2def222-1
0.367
MIC-UNK-4ce148f7-3
0.364
MAR-UCB-fd2e172f-1
0.358
MAR-UCB-fd2e172f-8
0.358
MIC-UNK-4ce148f7-4
0.357
EDG-MED-21720aac-1
0.356
ALP-POS-5de921e7-3
0.356
MAR-UCB-fd2e172f-21
0.355
PAU-WIS-d4065696-3
0.355
PET-UNK-c761fc18-1
0.355
ALP-POS-5de921e7-1
0.352
EDG-MED-21720aac-5
0.352
MIC-UNK-4ce148f7-2
0.351
MAR-UCB-fd2e172f-38
0.351
JOH-UNI-ea72002d-5
0.350
BEN-DND-a7517465-4
0.349
MAT-POS-8e4737f4-1
0.349
EDJ-MED-e4b030d8-13
0.349
DAR-DIA-6a508060-10
0.349
JOH-UNI-99d163e5-2
0.349
MIC-UNK-deda7a44-3
0.348
EDJ-MED-ee742daa-1
0.346
PET-UNK-0df12184-1
0.345
MAR-UCB-fd2e172f-27
0.345
EDG-MED-21720aac-2
0.344
ALP-POS-5de921e7-6
0.343
MAR-UCB-fd2e172f-14
0.342
EDJ-MED-d2def222-2
0.342
MAR-UCB-fd2e172f-32
0.342
MAR-UCB-fd2e172f-40
0.342
JOH-UNI-6e27fddc-1
0.342
MIC-UNK-4ce148f7-1
0.342
EDG-MED-21720aac-3
0.341
EDG-MED-21720aac-9
0.340
JOH-UNI-99d163e5-6
0.339
EDG-MED-21720aac-4
0.337
MAR-UCB-fd2e172f-22
0.336
MAR-UCB-fd2e172f-23
0.336
PET-UNK-c761fc18-5
0.336
MAR-UCB-fd2e172f-16
0.336
MAR-UCB-fd2e172f-3
0.336
MAR-UCB-fd2e172f-6
0.336
MIC-UNK-deda7a44-2
0.336
MAR-UCB-fd2e172f-7
0.336
MAT-POS-a5ef2d74-2
0.333
EDJ-MED-611d11e7-4
0.333
MAR-UCB-fd2e172f-4
0.333
MIC-UNK-deda7a44-1
0.333
MAT-POS-a5ef2d74-3
0.333
MIC-UNK-6e9f8a43-2
0.333
MAT-POS-ec6d90b7-4
0.333
EDG-MED-21720aac-7
0.333
EDG-MED-21720aac-8
0.333
EDG-MED-21720aac-10
0.333
PET-UNK-f4e47ebd-17
0.333
EDJ-MED-611d11e7-10
0.333
ADA-UCB-b1b30a00-5
0.333
MAR-UCB-fd2e172f-2
0.333
MAR-UCB-fd2e172f-15
0.333
MAR-UCB-fd2e172f-18
0.333
PET-UNK-0df12184-3
0.333
MIC-UNK-deda7a44-4
0.331
PET-UNK-ee8352fa-3
0.330
MAR-UCB-fd2e172f-20
0.330
MAR-UCB-fd2e172f-34
0.330
MAR-UCB-fd2e172f-36
0.330
MAR-UCB-fd2e172f-10
0.330
MIC-UNK-deda7a44-8
0.328
DAR-DIA-ecdbc7dd-16
0.328
MAR-UCB-fd2e172f-30
0.328
JOH-UNI-99d163e5-1
0.327
JOH-UNI-99d163e5-4
0.327
MAR-UCB-fd2e172f-35
0.327
PET-UNK-0df12184-2
0.327
PET-UNK-b38839dc-18
0.327
MAR-UCB-fd2e172f-41
0.327
EDG-MED-21720aac-6
0.326
EDG-MED-21720aac-11
0.326
EDG-MED-90036822-104
0.326
PET-UNK-a7639856-2
0.325
ALP-POS-6f6ae286-3
0.325
MAT-POS-e6dd326d-3
0.325
MAT-POS-45b13633-3
0.325
PET-UNK-f4e47ebd-19
0.325
PET-UNK-5d7c542f-1
0.325
MAR-UCB-fd2e172f-26
0.325