Molecular Properties | |
SMILES: | CCC(CC)C(=O)C(C#N)C(=O)Nc1ccc(F)cc1 |
MW: | 276.311 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 69.96 |
cLogP: | 2.90928 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z637364502 |
Mcule: | MCULE-6616434375 |
MolPort: | MolPort-009-562-358 |
Order Status | |
Shipped: | 2020-05-07 |
beta-keto/anhydride
Ketones
Ketone
Long aliphatic chain
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-1
0.410
JOH-UNI-c7afdb96-11
0.391
MAR-TRE-6c5ef77a-86
0.385
MAR-TRE-a3327163-54
0.365
JOH-UNI-c7afdb96-12
0.348
ISA-SCH-8e98219b-2
0.333
JOH-UNI-c7afdb96-3
0.324
MAR-TRE-6c5ef77a-92
0.321
JOH-UNI-c7afdb96-4
0.319
MAR-TRE-6a44bbf2-85
0.318
MAR-TRE-6c5ef77a-62
0.311
JAN-GHE-4287bd1a-3
0.310
JOH-UNI-c7afdb96-2
0.310
LON-WEI-b2874fec-19
0.309
JOH-UNI-c7afdb96-10
0.308
ISA-SCH-8e98219b-1
0.303
CAS-DEP-751a2458-6
0.300
MAR-TRE-6c5ef77a-66
0.295
JOH-UNI-c7afdb96-13
0.288
MAR-TRE-1c920f6f-98
0.286
MAR-TRE-7f7bb9f0-56
0.284
MAR-TRE-6c5ef77a-85
0.282
JOH-UNI-c7afdb96-9
0.282
MAR-TRE-6c5ef77a-32
0.276
JOH-UNI-c7afdb96-8
0.274
JON-UNI-4b544d07-5
0.273
MAR-TRE-0fda4e82-93
0.271
MAR-TRE-0fda4e82-91
0.271
MAR-TRE-6a44bbf2-47
0.270
KEI-TRE-d5e2018a-55
0.268
JOH-UNI-c7afdb96-7
0.267
MAR-TRE-1c920f6f-90
0.265
MAR-TRE-6a44bbf2-90
0.265
LON-WEI-adc59df6-41
0.261
JOH-UNI-c7afdb96-6
0.260
JOH-UNI-c7afdb96-5
0.260
MAR-TRE-0fda4e82-80
0.258
MAR-TRE-7f7bb9f0-26
0.256
MAR-TRE-a3327163-57
0.254
ROB-UNI-269bf23d-1
0.253
MAR-TRE-14ce9fd6-59
0.246
LON-WEI-1908424e-12
0.246
MAR-TRE-3159af1a-18
0.244
MAR-TRE-e86a56b5-38
0.244
MAR-TRE-f5c2d31c-38
0.242
MAR-TRE-6c5ef77a-74
0.241
MAK-UNK-a7b37c5e-5
0.236
MAR-TRE-85681e92-52
0.233
FAR-UNI-736b943a-3
0.233
MAR-TRE-6c5ef77a-25
0.232
MAR-TRE-a3327163-48
0.232
KEI-TRE-d5e2018a-42
0.232
MAR-TRE-7f7bb9f0-77
0.232
MAR-TRE-4b834d9a-72
0.232
UNK-CYC-68f84b31-32
0.231
MAR-TRE-67513f76-23
0.231
MAR-TRE-d0525fbf-31
0.230
GAB-REV-4a4e2ff3-14
0.230
JOH-UNI-c7afdb96-17
0.229
MAR-TRE-14ce9fd6-78
0.229
JOH-UNI-c7afdb96-16
0.229
DAN-MCD-c163c0bb-1
0.228
PET-SGC-0f1d26ed-2
0.228
MAR-TRE-0fda4e82-16
0.226
MAR-TRE-67513f76-16
0.226
KUS-THE-322b9b63-25
0.225
MAR-TRE-6c5ef77a-47
0.225
MAR-TRE-f5c2d31c-6
0.225
CAS-DEP-751a2458-4
0.224
MAR-TRE-7f7bb9f0-93
0.223
GAB-FAC-880f6604-1
0.222
MAR-TRE-4b834d9a-38
0.222
MAR-TRE-6a44bbf2-81
0.222
MAR-TRE-92684b97-46
0.221
MAR-TRE-a3327163-68
0.221
MAR-TRE-67513f76-98
0.221
MAR-TRE-a3327163-40
0.219
WIL-UNI-354943b6-5
0.218
MAR-TRE-92684b97-41
0.218
MAR-TRE-9d18ae8c-87
0.218
AAR-UNI-c25c2f1e-79
0.218
WIL-UNI-1faa9b10-19
0.217
MAR-TRE-d0525fbf-76
0.216
LON-WEI-b2874fec-16
0.216
MAR-TRE-0fda4e82-96
0.216
MAR-TRE-0fda4e82-14
0.215
WIL-UNI-5578df48-33
0.215
VIJ-CYC-1a381570-12
0.214
MAR-TRE-14ce9fd6-68
0.214
MAR-TRE-0fda4e82-25
0.213
JOH-IMS-62aeb97d-2
0.213
MAR-TRE-0fda4e82-56
0.212
NAU-LAT-64f4b287-7
0.212
MAK-UNK-72659d64-3
0.212
JOH-SUS-bab12148-1
0.212
MAR-TRE-6c5ef77a-16
0.211
MAR-TRE-85681e92-37
0.211
MAR-TRE-6c5ef77a-24
0.211
MAR-TRE-2fd8122f-69
0.210
MAR-TRE-85681e92-56
0.210