Molecular Properties | |
SMILES: | CO[C@@]1(C(=O)Nc2cncc3ccn(C)c23)CCNc2ccc(Cl)cc21 |
MW: | 370.12 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 68.18 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c761fc18-3
0.711
MIC-UNK-ea4eb352-3
0.634
MAT-POS-d8472c4f-3
0.634
PET-UNK-c761fc18-5
0.624
PET-UNK-4b4f2bb7-4
0.594
PET-UNK-b78139fa-13
0.585
PET-UNK-c761fc18-8
0.561
PET-UNK-c761fc18-6
0.560
PET-UNK-e274cad4-9
0.475
MIC-UNK-ea4eb352-7
0.456
EDJ-MED-4f704dc9-1
0.456
ALP-POS-fe871b40-12
0.453
NIR-THE-3fc2bec4-1
0.453
MIC-UNK-ea4eb352-11
0.453
PET-UNK-c761fc18-1
0.430
EDJ-MED-946e547c-1
0.429
PET-UNK-f9b7ae87-1
0.418
DAR-DIA-ecdbc7dd-7
0.414
PET-UNK-e274cad4-6
0.411
PET-UNK-4b4f2bb7-1
0.409
DAR-DIA-ecdbc7dd-14
0.405
MAR-UCB-fd2e172f-29
0.404
PET-UNK-b78139fa-10
0.398
DAR-DIA-ecdbc7dd-9
0.395
MAT-POS-c7771779-2
0.394
DAR-DIA-ecdbc7dd-15
0.394
ALP-POS-fe871b40-8
0.394
MAT-POS-89e65850-1
0.394
PET-UNK-81b485b5-3
0.393
PET-UNK-81b485b5-17
0.393
MAR-UCB-fd2e172f-20
0.391
DAR-DIA-ecdbc7dd-10
0.390
DAR-DIA-ecdbc7dd-19
0.390
ALP-POS-5de921e7-2
0.389
PET-UNK-e274cad4-10
0.389
DAR-DIA-ecdbc7dd-8
0.388
PET-UNK-b78139fa-4
0.387
PET-UNK-c761fc18-2
0.386
PET-UNK-e274cad4-8
0.385
PET-UNK-c761fc18-4
0.384
PET-UNK-e274cad4-7
0.383
PET-UNK-f4e47ebd-17
0.382
EDJ-MED-611d11e7-10
0.382
PET-UNK-0df12184-3
0.382
MAT-POS-a5ef2d74-3
0.382
MAR-UCB-fd2e172f-2
0.382
PET-UNK-f9b7ae87-2
0.382
DAR-DIA-ecdbc7dd-12
0.381
JOH-UNI-6e27fddc-1
0.378
PET-UNK-4b4f2bb7-9
0.378
ALF-EVA-82cf4849-4
0.378
PET-UNK-2c6614b6-4
0.376
MIC-UNK-ea4eb352-4
0.376
DAR-DIA-ecdbc7dd-6
0.376
PET-UNK-81b485b5-2
0.375
PET-UNK-81b485b5-16
0.375
VLA-UNK-8e76d113-4
0.374
ALP-POS-fe871b40-4
0.374
PET-UNK-29afea89-2
0.373
EDJ-MED-d08626de-1
0.373
MAR-UCB-fd2e172f-25
0.373
PET-UNK-0df12184-4
0.373
EDG-MED-0e5afe9d-3
0.373
EDJ-MED-d08626de-2
0.373
DAR-DIA-ecdbc7dd-17
0.371
EDJ-MED-611d11e7-4
0.369
MAT-POS-ec6d90b7-4
0.369
PET-UNK-6e612674-6
0.369
PET-UNK-6e612674-14
0.369
MAT-POS-a5ef2d74-2
0.369
PET-UNK-ab76d8f6-4
0.366
PET-UNK-5d7c542f-2
0.365
EDJ-MED-2f867453-1
0.364
ALP-POS-5de921e7-1
0.364
PET-UNK-f4e47ebd-21
0.363
PET-UNK-4b4f2bb7-8
0.363
PET-UNK-1abb40f2-2
0.363
PET-UNK-1abb40f2-4
0.363
ALP-POS-93b3621f-4
0.362
MAR-UCB-fd2e172f-16
0.360
MAT-POS-96f51285-1
0.360
EDJ-MED-611d11e7-7
0.360
PET-UNK-f4e47ebd-19
0.360
MAT-POS-24589f88-1
0.360
PET-UNK-ee8352fa-1
0.360
ALP-POS-6f6ae286-3
0.360
PET-UNK-5d7c542f-1
0.360
PET-UNK-b78139fa-18
0.358
EDJ-MED-611d11e7-1
0.357
MAT-POS-96f51285-2
0.357
PET-UNK-f4e47ebd-18
0.357
PET-UNK-f4e47ebd-24
0.357
PET-UNK-c65ea24c-16
0.357
PET-UNK-b38839dc-19
0.357
PET-UNK-b38839dc-20
0.357
MAR-UCB-fd2e172f-15
0.357
EDG-MED-10fcb19e-3
0.356
EDJ-MED-6bf93aa8-1
0.356
MIC-UNK-ea4eb352-1
0.354
MAR-UCB-fd2e172f-34
0.354