Molecular Properties | |
SMILES: | O=C(Nc1cncc2sncc12)[C@@H]1CCNc2ccc(Cl)cc21 |
MW: | 344.05 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 66.91 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-7f7e354d-2
0.706
PET-UNK-b1ef24dc-10
0.636
EDJ-MED-92e193ae-1
0.625
PET-UNK-b1ef24dc-11
0.625
EDJ-MED-92e193ae-2
0.625
ALP-POS-477dc5b7-2
0.625
MIC-UNK-91acba05-5
0.625
PET-UNK-b1ef24dc-8
0.596
PET-UNK-b1ef24dc-16
0.582
BEN-DND-d1eb1f41-10
0.579
MAT-POS-86c60949-2
0.579
PET-UNK-b1ef24dc-24
0.578
PET-UNK-e274cad4-9
0.559
BEN-DND-d1eb1f41-3
0.556
PET-UNK-b1ef24dc-9
0.554
PET-UNK-b1ef24dc-20
0.553
DAR-DIA-06c53477-5
0.543
DAR-DIA-06c53477-4
0.543
DAR-DIA-06c53477-6
0.543
BEN-DND-d1eb1f41-2
0.541
PET-UNK-e274cad4-4
0.537
BEN-DND-d1eb1f41-1
0.531
BEN-DND-d1eb1f41-5
0.531
PET-UNK-b1ef24dc-36
0.520
PET-UNK-b1ef24dc-28
0.520
PET-UNK-b1ef24dc-32
0.500
EDG-MED-fe7487f8-4
0.478
BEN-DND-f06bfa8e-6
0.459
BEN-DND-02317c5c-6
0.459
PET-UNK-b1ef24dc-4
0.440
MAR-UCB-6ab2ec87-1
0.429
ALP-UNI-8d415491-3
0.429
EDJ-MED-611d11e7-5
0.422
ALP-POS-fe871b40-10
0.422
ALP-UNI-ba800595-2
0.422
MAT-POS-ec6d90b7-5
0.422
ALP-UNI-8d415491-6
0.422
EDJ-MED-611d11e7-11
0.420
ALP-UNI-8d415491-4
0.420
ALP-UNI-3735e77e-4
0.420
MAT-POS-78e1d523-5
0.420
MAT-POS-78e1d523-6
0.420
MAT-POS-f9802937-8
0.420
MAT-POS-f9802937-9
0.420
ALF-EVA-82cf4849-10
0.419
BEN-DND-f06bfa8e-1
0.417
ERI-UCB-b3e6b0c2-2
0.417
ALF-EVA-82cf4849-9
0.414
ERI-UCB-b3e6b0c2-11
0.413
MAT-POS-14f31916-5
0.412
ALF-EVA-82cf4849-1
0.412
PET-UNK-7f7e354d-1
0.412
ALF-EVA-b701bd13-2
0.410
PET-UNK-7f7e354d-3
0.408
MAT-POS-96f51285-6
0.406
MAT-POS-ec6d90b7-6
0.406
EDJ-MED-611d11e7-8
0.406
ALF-EVA-82cf4849-6
0.400
ERI-UCB-b3e6b0c2-16
0.400
ALF-EVA-82cf4849-2
0.400
MAT-POS-8040981b-1
0.400
ALF-EVA-b701bd13-1
0.396
ALF-EVA-82cf4849-7
0.396
EDJ-MED-611d11e7-2
0.393
ALP-UNI-8d415491-5
0.393
ALP-UNI-ba800595-1
0.392
PET-UNK-b1ef24dc-7
0.392
MAT-POS-d8472c4f-6
0.390
MAT-POS-14f31916-1
0.390
MAT-POS-e69ad64a-1
0.389
PET-UNK-f4e47ebd-4
0.389
BEN-DND-4f474d93-2
0.388
ALP-POS-ce760d3f-3
0.388
ERI-UCB-b3e6b0c2-8
0.387
MAT-POS-acfe5bae-5
0.387
MAT-POS-14f31916-2
0.387
ALP-POS-fe871b40-2
0.387
ERI-UCB-b3e6b0c2-5
0.386
ROB-UNI-611831f5-2
0.385
ROB-UNI-322e8f70-2
0.385
PET-UNK-b1ef24dc-6
0.385
ALP-POS-fe871b40-6
0.385
EDJ-MED-ee742daa-2
0.384
ALP-UNI-8d415491-1
0.384
MAT-POS-a2421bb6-3
0.383
PET-UNK-0df12184-1
0.383
MAT-POS-ee5e8e94-2
0.380
MAT-POS-acfe5bae-1
0.380
PET-UNK-ab76d8f6-2
0.380
BEN-DND-4f474d93-1
0.379
BEN-DND-4f474d93-3
0.379
ALP-POS-ce760d3f-2
0.379
PET-UNK-c65ea24c-2
0.378
DAR-DIA-5a24bef0-2
0.377
PET-UNK-7279c968-3
0.377
MAT-POS-14f31916-3
0.376
TET-ENA-1a76f195-1
0.376
MAT-POS-ee5e8e94-1
0.376
PET-UNK-b38839dc-3
0.375
BEN-DND-c852c98b-4
0.375