Molecular Properties | |
SMILES: | CC(=O)NCc1cc2c(cc1CCCC(=O)Nc1cnccc1C)OCO2 |
MW: | 369.421 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 89.55 |
cLogP: | 2.71622 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
NAT-WAB-78d8bb1c-2
0.588
ALE-HEI-f28a35b5-12
0.493
ALE-HEI-f28a35b5-10
0.457
PET-SGC-6e7c5dc0-1
0.456
RAL-THA-6b94ceba-5
0.449
MIC-UNK-ea979c74-3
0.436
EDG-MED-0da5ad92-8
0.417
TRY-UNI-2eddb1ff-2
0.417
ASH-SAT-43770c7d-9
0.416
BEN-DND-93268d01-7
0.414
MAT-POS-590ac91e-10
0.405
BEN-DND-93268d01-6
0.404
WIL-MOD-03b86a88-2
0.404
MAT-POS-590ac91e-17
0.400
JOH-UNI-abfda500-6
0.400
ANN-UNI-98d2bf15-1
0.400
MAT-POS-590ac91e-11
0.400
RAM-SYN-2a37ce6c-3
0.396
PET-SGC-2e937068-1
0.396
BEN-DND-93268d01-5
0.395
MAK-UNK-6ca90168-26
0.395
PET-SGC-83d43576-1
0.394
ALP-POS-95b75b4d-3
0.393
DAR-DIA-0cde14eb-76
0.393
JAN-GHE-83b26c96-14
0.393
ALP-POS-f13221e1-4
0.393
GAB-REV-70cc3ca5-21
0.393
BEN-DND-93268d01-4
0.391
TRY-UNI-714a760b-5
0.390
JAN-GHE-83b26c96-11
0.390
AAR-POS-d2a4d1df-3
0.389
MAK-UNK-6435e6c2-8
0.389
PET-SGC-1c3a473d-1
0.388
NAU-LAT-0543f7f2-3
0.388
NAU-LAT-30527ac5-5
0.388
EDJ-MED-c9f55a56-1
0.388
MAT-POS-590ac91e-24
0.388
GAB-REV-70cc3ca5-22
0.388
MAT-POS-590ac91e-6
0.386
BAR-COM-0f94fc3d-28
0.385
DAR-DIA-0cde14eb-79
0.385
PET-SGC-276eba5a-1
0.385
MAT-POS-590ac91e-15
0.384
BEN-DND-93268d01-8
0.384
EDJ-MED-3c65e9ce-1
0.384
EDJ-MED-e58735b6-1
0.382
MAT-POS-590ac91e-7
0.381
ALP-POS-95b75b4d-4
0.380
JAN-GHE-83b26c96-13
0.379
TRY-UNI-714a760b-6
0.379
ALP-POS-95b75b4d-2
0.379
BEN-DND-93268d01-13
0.379
EDJ-MED-e58735b6-2
0.379
RAL-THA-6b94ceba-8
0.379
TRY-UNI-2eddb1ff-1
0.378
BEN-DND-93268d01-9
0.376
ALE-HEI-f28a35b5-3
0.376
BEN-DND-09b88bf4-5
0.376
MIH-UNI-6b9ca91a-1
0.376
THO-SYG-cc9e9a11-1
0.376
EDG-MED-0da5ad92-7
0.375
ALP-POS-95b75b4d-1
0.375
JAN-GHE-83b26c96-12
0.375
MAK-UNK-372b0df5-3
0.375
PET-SGC-d0fd10df-1
0.374
BEN-DND-6de5dfa0-14
0.374
DAR-DIA-0cde14eb-77
0.372
THO-SYG-cc9e9a11-2
0.372
BEN-DND-93268d01-10
0.372
GAB-REV-70cc3ca5-12
0.371
SAD-SAT-7d5528d9-1
0.371
GAB-REV-70cc3ca5-13
0.371
NAU-LAT-0543f7f2-1
0.370
RAL-THA-6b94ceba-6
0.370
EDJ-MED-e58735b6-3
0.370
GAB-REV-70cc3ca5-3
0.370
RAL-THA-6b94ceba-12
0.368
WIL-MOD-03b86a88-3
0.368
BEN-DND-6de5dfa0-1
0.367
BEN-DND-09b88bf4-2
0.367
BEN-DND-03406596-7
0.367
NIR-THE-b7e8e081-1
0.367
MAT-POS-590ac91e-13
0.366
DAR-DIA-0cde14eb-64
0.366
DAR-DIA-0cde14eb-1
0.366
MAT-POS-590ac91e-9
0.365
NAU-LAT-0543f7f2-7
0.365
GAB-REV-70cc3ca5-20
0.364
BAR-COM-0f94fc3d-48
0.363
BEN-DND-09b88bf4-6
0.363
ANN-UNI-98d2bf15-2
0.363
BEN-DND-6de5dfa0-7
0.363
BEN-DND-6de5dfa0-16
0.363
NIR-THE-b7e8e081-2
0.363
MAT-POS-590ac91e-2
0.362
ERI-UCB-5b47150d-1
0.362
MAT-POS-590ac91e-1
0.362
RAL-THA-6b94ceba-7
0.362
DAR-DIA-0cde14eb-2
0.362
VLA-UCB-00f2c2b3-2
0.362