Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(CN2CCOCC2)c1 |
MW: | 325.18 |
Fraction sp3: | 0.37 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 54.46 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
EDJ-MED-e58735b6-2
0.643
ALP-POS-95b75b4d-2
0.597
SAD-SAT-7d5528d9-8
0.595
JAN-GHE-83b26c96-13
0.575
TRY-UNI-714a760b-6
0.575
SAD-SAT-7d5528d9-2
0.573
BEN-DND-93268d01-10
0.569
ALP-POS-95b75b4d-1
0.568
JAN-GHE-83b26c96-12
0.568
EDJ-MED-e58735b6-1
0.553
DAR-DIA-0cde14eb-79
0.551
DAR-DIA-0cde14eb-4
0.550
ALP-POS-95b75b4d-3
0.545
ANN-UNI-98d2bf15-2
0.545
JAN-GHE-83b26c96-14
0.545
DAR-DIA-0cde14eb-76
0.545
ALP-POS-95b75b4d-4
0.544
DAR-DIA-0cde14eb-1
0.544
TRY-UNI-714a760b-20
0.538
SAD-SAT-7d5528d9-16
0.537
DAR-DIA-0cde14eb-2
0.537
DAR-DIA-0cde14eb-78
0.532
EDJ-MED-e58735b6-3
0.532
DAR-DIA-0cde14eb-3
0.531
ANN-UNI-98d2bf15-5
0.525
TRY-UNI-714a760b-5
0.514
DAR-DIA-0cde14eb-77
0.512
DAR-DIA-0cde14eb-14
0.512
BRU-LEF-c49414a7-1
0.500
SAD-SAT-24589cd1-6
0.500
RAL-THA-901e9a10-7
0.500
EDJ-MED-e58735b6-4
0.500
SAD-SAT-7d5528d9-3
0.483
JAN-GHE-83b26c96-11
0.473
SAD-SAT-7d5528d9-7
0.472
SAM-UNK-2684b532-9
0.466
EDG-MED-0da5ad92-8
0.462
TRY-UNI-2eddb1ff-2
0.462
BEN-DND-93268d01-9
0.455
BEN-DND-09b88bf4-5
0.455
MIH-UNI-6b9ca91a-1
0.455
BAR-COM-0f94fc3d-28
0.455
NAU-LAT-0543f7f2-7
0.448
PET-SGC-276eba5a-1
0.448
VLA-UCB-00f2c2b3-2
0.447
ALE-HEI-f28a35b5-12
0.446
WIL-MOD-03b86a88-2
0.443
ANN-UNI-98d2bf15-1
0.443
JOH-UNI-abfda500-6
0.443
TRY-UNI-9f475305-1
0.442
VLA-UCB-00f2c2b3-1
0.442
GAB-REV-70cc3ca5-23
0.442
RAL-THA-6b94ceba-5
0.442
RAL-THA-6b94ceba-15
0.442
PET-SGC-6016d8e6-1
0.441
MAT-POS-c9973a83-1
0.440
GAB-REV-70cc3ca5-20
0.438
RAL-THA-6b94ceba-16
0.437
GAB-REV-70cc3ca5-18
0.437
RAL-THA-6b94ceba-12
0.437
BEN-DND-93268d01-11
0.436
DAR-DIA-0cde14eb-64
0.435
DAR-DIA-0cde14eb-61
0.435
TRY-UNI-2eddb1ff-1
0.434
ALP-POS-f13221e1-4
0.434
RAL-THA-6b94ceba-8
0.432
EDJ-MED-c9f55a56-1
0.430
RAL-THA-6b94ceba-7
0.430
DAR-DIA-0cde14eb-62
0.430
DAR-DIA-0cde14eb-63
0.430
RAL-THA-901e9a10-8
0.430
BEN-DND-93268d01-6
0.429
BEN-DND-6de5dfa0-5
0.427
EDJ-MED-3c65e9ce-1
0.425
BEN-DND-93268d01-8
0.425
WIL-MOD-03b86a88-4
0.424
RAL-THA-6b94ceba-6
0.424
MAK-UNK-6ca90168-26
0.423
BEN-DND-6de5dfa0-1
0.422
BEN-DND-6de5dfa0-4
0.422
BEN-DND-09b88bf4-2
0.422
BEN-DND-03406596-7
0.422
BEN-DND-09b88bf4-4
0.422
DAR-DIA-0cde14eb-19
0.421
DAR-DIA-23e5a6a0-25
0.421
MAK-UNK-987948f6-11
0.420
GAB-REV-70cc3ca5-11
0.420
EDJ-MED-3c65e9ce-4
0.420
DAR-DIA-0cde14eb-16
0.419
ALE-HEI-f28a35b5-3
0.418
MAK-UNK-987948f6-12
0.418
BEN-DND-6de5dfa0-16
0.417
NIR-THE-b7e8e081-2
0.417
DAR-DIA-0cde14eb-74
0.416
DAR-DIA-23e5a6a0-29
0.415
BEN-DND-22e6b372-4
0.415
RAL-THA-6b94ceba-13
0.414
MAT-POS-590ac91e-10
0.412
DAR-DIA-23e5a6a0-26
0.412
SAM-UNK-2684b532-8
0.411