Molecular Properties | |
SMILES: | CC(=O)NCCc1c(O)[nH]c2ccc(F)cc12 |
MW: | 236.246 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 65.12 |
cLogP: | 1.6912 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
AAR-POS-d2a4d1df-2
0.463
MAR-UCB-195bc32d-20
0.423
MAK-UNK-10572812-10
0.418
SAN-PRS-3c4a6997-3
0.394
MAK-UNK-be5ffcbc-9
0.333
MAT-POS-590ac91e-41
0.333
NAU-LAT-81109c57-1
0.329
MAK-UNK-be5ffcbc-8
0.329
MAR-UCB-195bc32d-16
0.329
JOH-MSK-a63bdd1d-4
0.329
SAN-PRS-3c4a6997-4
0.324
MAK-UNK-0d6072ac-1
0.320
MAT-POS-590ac91e-39
0.319
LON-WEI-4d77710c-14
0.318
LON-WEI-5e7d1b3e-14
0.318
MAT-POS-b5746674-78
0.318
NAU-LAT-81109c57-8
0.316
MAK-UNK-be5ffcbc-7
0.310
NAU-LAT-81109c57-4
0.307
SAN-PRS-3c4a6997-1
0.307
MAK-UNK-be5ffcbc-1
0.306
MAK-UNK-be5ffcbc-3
0.303
MAK-UNK-be5ffcbc-4
0.302
MAT-POS-590ac91e-33
0.301
MAT-POS-590ac91e-64
0.301
GAB-REV-4a4e2ff3-3
0.301
JOH-MSK-35a8745a-1
0.299
MAR-UCB-195bc32d-21
0.299
ALE-ACE-2610ee4d-1
0.299
MAT-POS-590ac91e-30
0.298
JOK-SYG-b7365cd7-1
0.298
JOH-MSK-a63bdd1d-5
0.296
ASH-SAT-43770c7d-8
0.296
GAB-REV-4a4e2ff3-6
0.295
DUN-NEW-f8ce3686-12
0.295
JOH-MEM-4bb7e4cc-1
0.295
MAT-GIT-deadff56-1
0.295
MAT-POS-590ac91e-47
0.294
MAK-UNK-be5ffcbc-6
0.294
MAT-POS-590ac91e-68
0.293
WIL-LEE-1f71e281-6
0.293
TAM-UNI-c140e31a-3
0.292
GAB-REV-4a4e2ff3-14
0.291
MAK-UNK-be5ffcbc-2
0.291
ANT-DIA-b7f58f21-4
0.290
PET-SGC-f818f65b-1
0.289
ELE-IMP-dfb36048-1
0.289
SAM-UNK-903735bd-2
0.289
TAM-UNI-c140e31a-15
0.289
SIM-DEM-265738e1-1
0.289
NAU-LAT-81109c57-3
0.289
MAT-POS-590ac91e-48
0.289
SAN-PRS-3c4a6997-2
0.288
NAU-LAT-81109c57-2
0.287
GAB-REV-4a4e2ff3-15
0.287
MAT-POS-590ac91e-56
0.286
MAK-UNK-be5ffcbc-5
0.286
NAU-LAT-81109c57-6
0.286
ALP-UNI-ed5cdfd2-3
0.286
MAT-POS-b5746674-67
0.284
SAM-UNK-903735bd-1
0.284
GAB-REV-4a4e2ff3-9
0.283
MAT-POS-590ac91e-35
0.283
NAU-LAT-f723e322-2
0.283
MAT-POS-590ac91e-67
0.283
ABI-SAT-30e287c1-2
0.280
NIR-THE-0d6461ce-2
0.280
JOH-MSK-a63bdd1d-1
0.278
MAT-POS-590ac91e-62
0.278
MAK-UNK-10572812-14
0.278
GAB-REV-4a4e2ff3-21
0.278
FRA-LAB-04e32718-1
0.278
NAU-LAT-81109c57-5
0.278
NIR-THE-0d6461ce-3
0.277
ASH-UNK-40b46b30-7
0.277
MAT-POS-590ac91e-69
0.277
JOH-MEM-5e386bbd-8
0.275
GAB-REV-4a4e2ff3-8
0.275
TAM-UNI-c140e31a-2
0.275
MAK-UNK-37f1d6fa-6
0.275
GAB-REV-4a4e2ff3-17
0.275
MAT-POS-590ac91e-59
0.274
STU-CHA-bc0a9883-1
0.272
DAR-DIA-fb20be43-11
0.272
NAU-LAT-f723e322-1
0.272
JOK-SYG-302da050-1
0.272
DAR-DIA-eace69ff-36
0.271
EDJ-MED-c8e7a002-9
0.271
WAR-XCH-e55cba98-3
0.270
LON-WEI-af038623-6
0.270
ASH-UNK-40b46b30-5
0.270
GAB-REV-4a4e2ff3-12
0.269
MAK-UNK-37f1d6fa-1
0.269
ROB-UNI-b2e39629-6
0.268
MAR-TRE-be9ff7d2-37
0.267
MAK-UNK-37f1d6fa-7
0.267
GAB-REV-4a4e2ff3-7
0.265
VLA-UNK-c3e99b7a-3
0.265
TAM-UNI-d1c3dd9f-23
0.264
MAK-UNK-10572812-1
0.264