Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cc(C#N)ccc1CNC(=O)N1CCOCC1 |
MW: | 393.447 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 107.35 |
cLogP: | 1.9847 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
SAD-SAT-f25ee457-3
0.685
TRY-UNI-9f475305-1
0.609
WIL-LEE-1f71e281-1
0.576
SAD-SAT-f25ee457-9
0.565
SCO-VAN-260d9628-4
0.549
JAN-GHE-fd8d85a5-12
0.533
THO-SYG-cc9e9a11-3
0.526
SAD-SAT-f25ee457-4
0.521
TAM-UNI-d1c3dd9f-1
0.510
DAR-DIA-fb20be43-16
0.510
TRY-UNI-9f475305-9
0.481
THO-SYG-cc9e9a11-4
0.469
TRY-UNI-1fd04853-1
0.462
PET-SGC-175e168c-1
0.462
MAK-UNK-ec98eaf6-25
0.462
TRY-UNI-714a760b-20
0.456
SAD-SAT-7d5528d9-1
0.448
TRY-UNI-2eddb1ff-1
0.444
BEN-DND-93268d01-10
0.442
PET-SGC-cb83a00c-1
0.432
AAR-POS-d2a4d1df-21
0.419
TRY-UNI-2eddb1ff-6
0.413
RAL-THA-901e9a10-3
0.413
WIL-MOD-03b86a88-2
0.408
DAR-DIA-0cde14eb-14
0.408
PET-SGC-6016d8e6-1
0.408
PET-SGC-0ecb2cfe-1
0.404
ASH-SAT-43770c7d-9
0.402
DAR-DIA-0cde14eb-2
0.396
ANT-DIA-b7f58f21-9
0.394
DAR-DIA-23e5a6a0-25
0.390
TRY-UNI-2eddb1ff-2
0.389
JOH-UNI-abfda500-6
0.389
EDG-MED-0da5ad92-8
0.389
ANN-UNI-98d2bf15-1
0.389
ALE-HEI-f28a35b5-12
0.388
GAB-REV-70cc3ca5-19
0.388
SAM-UNK-2684b532-9
0.386
NAT-WAB-78d8bb1c-1
0.385
ALP-POS-95b75b4d-2
0.385
DAR-DIA-0cde14eb-74
0.384
RAL-THA-6b94ceba-8
0.384
DAR-DIA-23e5a6a0-26
0.383
PAU-WEI-f734c343-2
0.383
BEN-DND-93268d01-9
0.382
BEN-DND-09b88bf4-5
0.382
ALE-HEI-f28a35b5-3
0.382
DAR-DIA-03336633-10
0.381
ALP-POS-95b75b4d-1
0.380
ADA-UCB-6c2cb422-4
0.380
DAR-DIA-0cde14eb-29
0.380
SCO-VAN-260d9628-1
0.379
ALE-HEI-f28a35b5-17
0.379
TRY-UNI-714a760b-5
0.379
JAN-GHE-83b26c96-11
0.379
BEN-DND-22e6b372-2
0.379
WIL-MOD-03b86a88-4
0.379
EDJ-MED-c9f55a56-1
0.378
DAR-DIA-0cde14eb-4
0.378
THO-SYG-cc9e9a11-2
0.378
RAL-THA-6b94ceba-5
0.378
THO-SYG-cc9e9a11-7
0.377
DAR-DIA-0cde14eb-18
0.377
DAR-DIA-fb20be43-17
0.377
BAR-COM-0f94fc3d-28
0.376
DAR-DIA-0cde14eb-79
0.375
SAD-SAT-f25ee457-2
0.375
RAL-THA-6b94ceba-16
0.374
MAT-POS-590ac91e-15
0.374
BEN-DND-93268d01-8
0.374
EDJ-MED-3c65e9ce-1
0.374
DAR-DIA-23e5a6a0-29
0.371
PET-SGC-2e937068-1
0.371
DAR-DIA-0cde14eb-1
0.371
DAR-DIA-0cde14eb-64
0.371
ALP-POS-95b75b4d-4
0.371
BEN-DND-22e6b372-1
0.371
MAT-POS-590ac91e-7
0.371
NAU-LAT-0543f7f2-7
0.370
JAN-GHE-83b26c96-13
0.370
TRY-UNI-714a760b-6
0.370
EDJ-MED-e58735b6-2
0.370
BEN-DND-6de5dfa0-16
0.368
NIR-THE-b7e8e081-2
0.368
JAN-GHE-83b26c96-14
0.368
ALP-POS-95b75b4d-3
0.368
DAR-DIA-0cde14eb-76
0.368
DAR-DIA-0cde14eb-63
0.367
MIH-UNI-6b9ca91a-1
0.367
BEN-DND-93268d01-11
0.367
RED-SAT-26a928c9-1
0.366
ANU-UNK-2781581f-1
0.366
EDG-MED-0da5ad92-7
0.366
NAU-LAT-30527ac5-2
0.366
MAK-UNK-6ca90168-26
0.366
JAN-GHE-83b26c96-12
0.366
MAT-POS-590ac91e-27
0.366
DAR-DIA-0cde14eb-19
0.364
SAD-SAT-24589cd1-6
0.364
DAR-DIA-0cde14eb-3
0.364