Molecular Properties | |
SMILES: | O=C(On1nnc2ccccc21)c1ccc(OC(F)(F)F)cc1 |
MW: | 323.23 |
Fraction sp3: | 0.07 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 66.24 |
cLogP: | 2.5989 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
HOBT_ester
Acetoxy group attached to the aromatic nitrogen
N-Acetoxy amines and their thio analogues
AAR-POS-d2a4d1df-11
ANT-OPE-45835252-1
0.507
MAD-UNK-2d4faae7-1
0.493
DAR-DIA-2964957d-4
0.325
MAR-LAB-ca4662a6-7
0.275
MAT-POS-bfb445d4-2
0.271
BEN-DND-02317c5c-12
0.267
MAT-POS-3b92565d-14
0.267
MAT-POS-bfb445d4-1
0.267
BEN-DND-61647d40-12
0.267
ALP-POS-bad7201a-5
0.265
AAR-POS-8a4e0f60-7
0.263
DAR-DIA-093892e4-5
0.260
CHO-MSK-00c5269a-2
0.260
MAR-TRE-423310b6-6
0.258
RAL-THA-4a5dabff-4
0.258
MAT-POS-06036648-9
0.258
WIL-UNI-2e73223c-2
0.257
ANT-DIA-62e4526e-1
0.253
UNK-UNK-2ede4078-94
0.253
MAT-POS-ffe83904-1
0.250
RAL-THA-4a5dabff-1
0.247
AAR-POS-8a4e0f60-4
0.247
AAR-POS-8a4e0f60-6
0.245
MAT-POS-3b92565d-13
0.244
NAU-LAT-3f5f3993-4
0.244
AAR-POS-8a4e0f60-8
0.243
RUT-UNI-630c5802-20
0.242
CHO-MSK-00c5269a-1
0.242
EDJ-MED-06d94977-2
0.242
ALP-POS-c59291d4-1
0.240
PET-UNK-b75fdf9f-1
0.240
MAR-LAB-ca4662a6-8
0.239
EDJ-MED-06d94977-1
0.237
DAR-DIA-2964957d-5
0.236
MAT-POS-c79fcd02-1
0.235
ALP-POS-c0c213c9-6
0.235
RUT-UNI-630c5802-18
0.235
RUT-UNI-630c5802-17
0.235
ALP-POS-d2866bdf-1
0.235
ALP-POS-6d04362c-1
0.234
PET-UNK-b75fdf9f-2
0.232
RUT-UNI-630c5802-19
0.232
UNK-UNK-2ede4078-81
0.232
DAR-DIA-093892e4-4
0.231
MAR-LAB-ff9967db-12
0.231
DAR-DIA-2964957d-7
0.231
RUT-UNI-630c5802-27
0.231
DAR-DIA-093892e4-12
0.231
RUT-UNI-630c5802-21
0.230
ALP-POS-6d04362c-2
0.230
ALP-POS-bad7201a-9
0.230
ALP-POS-c59291d4-4
0.230
ALP-POS-bad7201a-15
0.230
CHO-MSK-00c5269a-3
0.230
DAR-DIA-667e571f-1
0.229
DAR-DIA-093892e4-3
0.229
DAR-DIA-093892e4-6
0.229
BRU-UNI-248b30bc-6
0.228
ALP-POS-bad7201a-14
0.228
RAL-THA-4a5dabff-5
0.228
ALP-POS-c0c213c9-15
0.228
BAR-COM-0f94fc3d-32
0.227
MAT-POS-06036648-1
0.227
WIL-UNI-d4749f31-34
0.227
RAL-THA-4a5dabff-6
0.226
ALP-POS-c59291d4-2
0.226
DAR-DIA-093892e4-1
0.226
RAL-THA-4a5dabff-2
0.225
PET-UNK-1901c25b-2
0.225
VLA-UCB-34f3ed0c-2
0.225
RUT-UNI-630c5802-22
0.225
DAR-DIA-093892e4-7
0.224
DAR-DIA-093892e4-2
0.224
AAR-POS-8a4e0f60-10
0.224
RUT-UNI-630c5802-24
0.223
RUT-UNI-630c5802-26
0.223
DAR-DIA-093892e4-11
0.223
AAR-POS-8a4e0f60-1
0.223
MAT-POS-06036648-2
0.223
MAD-UNK-b1ea4171-1
0.223
MAD-UNK-84a4f939-1
0.223
RAL-THA-4a5dabff-7
0.222
RAL-THA-4a5dabff-8
0.222
RAL-THA-4a5dabff-3
0.222
ALP-POS-a1bdc92a-1
0.222
PET-UNK-1901c25b-3
0.222
PET-UNK-7374c256-2
0.222
MAT-POS-06036648-5
0.222
RUT-UNI-630c5802-23
0.221
BEN-DND-61647d40-2
0.221
DAR-DIA-53551c05-8
0.221
MAR-LAB-ff9967db-38
0.220
AAR-POS-8a4e0f60-5
0.219
MAT-POS-06036648-6
0.219
MAT-POS-06036648-3
0.219
RUT-UNI-630c5802-1
0.218
ALP-POS-8ed8d9ec-15
0.218
BAR-COM-0f94fc3d-24
0.217
ROB-IMP-e811baff-1
0.217
MAT-POS-90fd5f68-6
0.216