Molecular Properties | |
SMILES: | Cc1nnc(NC(=O)[C@]2(F)CCOc3ccc(Cl)cc32)n1C1CC1F |
MW: | 368.09 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 69.04 |
cLogP: | 3.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-UNI-d0d90dc1-2
0.663
JOH-UNI-766085ab-1
0.584
JOH-UNI-04a01eac-4
0.559
JOH-UNI-04a01eac-2
0.538
PET-UNK-407a74a5-5
0.460
PET-UNK-407a74a5-15
0.447
EDG-MED-fe7487f8-6
0.424
MIK-NEW-9ae4bfeb-1
0.424
BRU-THA-a358fbdd-4
0.424
JOH-UNI-d0d90dc1-4
0.408
EDG-MED-fe7487f8-7
0.371
EDG-MED-21720aac-1
0.368
EDJ-MED-d2def222-1
0.364
ALP-POS-5de921e7-5
0.362
MIC-UNK-4ce148f7-2
0.360
MIC-UNK-4ce148f7-3
0.360
MAR-UCB-fd2e172f-5
0.360
JAG-UCB-c61058a9-44
0.359
MAR-UCB-fd2e172f-19
0.355
MIC-UNK-4ce148f7-4
0.353
PAU-WIS-d4065696-3
0.351
MIC-UNK-4ce148f7-1
0.351
EDG-MED-21720aac-5
0.348
MAR-UCB-fd2e172f-23
0.345
MAR-UCB-fd2e172f-7
0.345
MIC-UNK-deda7a44-2
0.345
MIC-UNK-deda7a44-3
0.345
MAR-UCB-fd2e172f-1
0.342
EDG-MED-21720aac-2
0.341
JAG-UCB-c61058a9-1
0.340
JAG-UCB-47403a7c-1
0.340
ALP-POS-5de921e7-3
0.340
ALP-POS-5de921e7-6
0.340
EDG-MED-21720aac-3
0.337
EDG-MED-21720aac-11
0.337
ALP-POS-5de921e7-1
0.336
PET-UNK-0df12184-2
0.336
UNK-UNK-2ede4078-91
0.336
JOH-UNI-ea72002d-5
0.336
MIC-UNK-deda7a44-8
0.336
MAR-UCB-fd2e172f-16
0.333
EDG-MED-21720aac-4
0.333
ADA-UCB-b1b30a00-5
0.331
MIC-UNK-deda7a44-1
0.331
EDJ-MED-611d11e7-4
0.330
MAT-POS-a5ef2d74-2
0.330
MAT-POS-ec6d90b7-4
0.330
MAR-UCB-fd2e172f-8
0.330
EDJ-MED-ee742daa-1
0.330
EDG-MED-21720aac-8
0.330
MIC-UNK-deda7a44-4
0.328
MAR-UCB-fd2e172f-40
0.327
PET-UNK-c761fc18-1
0.327
MAR-UCB-fd2e172f-10
0.327
MAR-UCB-fd2e172f-32
0.327
MAR-UCB-fd2e172f-34
0.327
MAR-UCB-fd2e172f-36
0.327
EDJ-MED-d2def222-2
0.327
JOH-UNI-6e27fddc-1
0.327
MAR-UCB-fd2e172f-21
0.327
MAR-UCB-fd2e172f-38
0.325
JAN-GHE-299e5c7e-1
0.324
EDG-MED-21720aac-9
0.323
EDG-MED-21720aac-6
0.323
JAN-GHE-299e5c7e-2
0.321
JOH-UNI-99d163e5-2
0.321
PET-UNK-c761fc18-5
0.321
PET-UNK-0df12184-4
0.321
MAR-UCB-fd2e172f-22
0.321
MAT-POS-8e4737f4-1
0.321
DAR-DIA-6a508060-10
0.321
EDJ-MED-e4b030d8-13
0.321
BEN-DND-a7517465-4
0.321
EDG-MED-90036822-74
0.320
EDG-MED-90036822-75
0.320
ALF-EVA-82cf4849-11
0.319
MAR-UCB-fd2e172f-18
0.319
MAR-UCB-fd2e172f-4
0.319
MAR-UCB-fd2e172f-43
0.319
MAR-UCB-fd2e172f-17
0.319
MAR-UCB-fd2e172f-27
0.319
MIC-UNK-6e9f8a43-2
0.319
ALP-POS-5de921e7-4
0.318
MIC-UNK-deda7a44-9
0.317
EDG-MED-21720aac-7
0.316
EDG-MED-21720aac-10
0.316
EDG-MED-21720aac-12
0.316
MAR-UCB-fd2e172f-14
0.316
MAR-UCB-fd2e172f-29
0.316
MAR-UCB-fd2e172f-30
0.314
MAR-UCB-fd2e172f-35
0.313
JOH-UNI-99d163e5-6
0.313
PET-UNK-b38839dc-18
0.312
EDG-MED-90036822-86
0.312
MAR-UCB-fd2e172f-41
0.312
MAR-UCB-fd2e172f-6
0.310
MAR-UCB-fd2e172f-26
0.310
ALP-POS-6f6ae286-3
0.310
PET-UNK-5d7c542f-1
0.310
PET-UNK-29afea89-2
0.310