Molecular Properties | |
SMILES: | C[C@H](CNCCCO)C(=O)Nc1cnccc1OC(F)F |
MW: | 303.14 |
Fraction sp3: | 0.54 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 9 |
TPSA: | 83.48 |
cLogP: | 1.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
Unbranched chain
MAK-UNK-6435e6c2-8
JOH-IMS-d6628593-4
0.592
MAK-UNK-c749d764-6
0.337
MAK-UNK-ffc90da7-1
0.337
MAT-POS-590ac91e-16
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MAT-POS-5d20d11c-1
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MAT-POS-590ac91e-5
0.321
MAK-UNK-b7886382-1
0.314
MAK-UNK-ffc90da7-6
0.299
MAT-POS-590ac91e-1
0.299
ERI-UCB-5b47150d-1
0.299
MAT-POS-590ac91e-2
0.299
BAR-COM-0f94fc3d-23
0.297
BAR-COM-0f94fc3d-34
0.295
BEN-DND-6de5dfa0-21
0.295
JIN-POS-6dc588a4-3
0.292
BEN-DND-93268d01-14
0.291
JIN-POS-6dc588a4-6
0.283
SAM-UNK-2684b532-5
0.283
MAR-TRE-74c6519b-76
0.283
ASH-SAT-43770c7d-9
0.282
SAD-SAT-89668ff1-3
0.281
BAR-COM-0f94fc3d-45
0.281
MAR-TRE-67513f76-49
0.280
ALE-HEI-f28a35b5-11
0.279
MAK-UNK-6ca90168-26
0.276
MAK-UNK-f203cb68-19
0.276
RAL-THA-6b94ceba-16
0.274
MAT-POS-590ac91e-14
0.273
CHO-MSK-6e55470f-14
0.273
ALE-HEI-f28a35b5-12
0.272
MAT-POS-590ac91e-13
0.272
MAT-POS-590ac91e-11
0.272
ABI-SAT-4d06482b-1
0.271
SAM-UNK-2684b532-7
0.270
MAT-POS-1e5f28a7-1
0.269
SAM-UNK-2684b532-6
0.269
CHO-MSK-6e55470f-13
0.269
JOH-IMS-d6628593-3
0.268
BEN-DND-93268d01-3
0.267
TRY-UNI-714a760b-18
0.267
TRY-UNI-2eddb1ff-4
0.267
JAN-GHE-83b26c96-4
0.267
TRY-UNI-2eddb1ff-5
0.267
JAN-GHE-83b26c96-5
0.267
BAR-COM-0f94fc3d-58
0.266
JAN-GHE-83b26c96-3
0.265
BEN-DND-6de5dfa0-10
0.264
TRY-UNI-714a760b-16
0.264
DAR-DIA-0cde14eb-72
0.263
MAK-UNK-f203cb68-16
0.263
BAR-COM-0f94fc3d-60
0.263
NAU-LAT-3f5f3993-10
0.263
MAK-UNK-f203cb68-4
0.262
JOH-IMS-54aa76a2-5
0.261
WIL-MOD-03b86a88-3
0.260
BAR-COM-0f94fc3d-44
0.260
MAT-POS-590ac91e-9
0.259
BEN-DND-93268d01-15
0.259
AHN-SAT-202241f6-1
0.259
TRY-UNI-714a760b-17
0.259
TRY-UNI-2eddb1ff-3
0.258
JAN-GHE-83b26c96-2
0.258
JOH-IMS-cc7b4c67-2
0.258
DAR-DIA-0cde14eb-12
0.258
ALE-HEI-f28a35b5-13
0.256
GAB-REV-70cc3ca5-21
0.256
TRY-UNI-714a760b-10
0.256
ALE-HEI-f28a35b5-6
0.256
EDG-MED-0da5ad92-4
0.256
JOH-IMS-d6628593-1
0.256
MIH-UNI-6b9ca91a-1
0.256
BEN-DND-93268d01-2
0.256
MAR-TRE-9c797165-39
0.256
SIM-DEM-f31d0e65-1
0.255
TRY-UNI-714a760b-22
0.255
DAR-DIA-0cde14eb-61
0.255
MAK-UNK-f203cb68-2
0.255
CHO-MSK-6e55470f-21
0.254
ALE-HEI-f28a35b5-10
0.253
MAR-TRE-74c6519b-57
0.253
DAR-DIA-0cde14eb-70
0.253
DAN-RED-da448e80-17
0.253
GAB-REV-70cc3ca5-12
0.253
DAR-DIA-0cde14eb-75
0.253
MIC-UNK-2744a8e2-6
0.252
DAN-RED-da448e80-5
0.250
MAT-POS-590ac91e-15
0.250
EDG-MED-0da5ad92-5
0.250
CHA-KIN-ceadbd93-2
0.250
JAN-GHE-83b26c96-11
0.250
ANN-UNI-98d2bf15-1
0.250
MAT-POS-bb423b95-5
0.250
DAR-DIA-0cde14eb-73
0.250
JAN-GHE-83b26c96-9
0.250
JOH-UNI-abfda500-6
0.250
MAK-UNK-d508046f-2
0.248
MAT-POS-f42f3716-4
0.248
BAR-COM-0f94fc3d-54
0.248
MAR-TRE-3e4e6814-78
0.247
MAK-UNK-f203cb68-14
0.247