Molecular Properties | |
SMILES: | CC(C)(C)CC(=O)C(C#N)C(=O)Nc1ccccc1 |
MW: | 258.321 |
Fraction sp3: | 0.4 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.96 |
cLogP: | 2.77018 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z638912916 |
Enamine REAL: | Z638912916 |
Enamine Extended REAL: | s_276436____14076146____14085994 |
Mcule: | MCULE-1051224280 |
MolPort: | MolPort-020-061-721 |
Order Status | |
Shipped: | 2020-05-07 |
beta-keto/anhydride
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
Long aliphatic chain
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-3
0.483
JOH-UNI-c7afdb96-4
0.446
JOH-UNI-c7afdb96-11
0.419
JOH-UNI-c7afdb96-1
0.417
JOH-UNI-c7afdb96-13
0.409
JOH-SUS-bab12148-1
0.362
JOH-UNI-c7afdb96-14
0.348
JAN-GHE-4287bd1a-3
0.345
MAR-TRE-14ce9fd6-61
0.339
SAD-SAT-6b5a89f0-8
0.333
MAX-MCD-16e3709a-1
0.333
PET-SGC-0f1d26ed-2
0.333
JOH-UNI-c7afdb96-8
0.333
JOH-UNI-c7afdb96-7
0.324
PET-SGC-0f1d26ed-1
0.320
JOH-UNI-c7afdb96-6
0.315
DRE-WAB-9b73098a-1
0.304
CHR-SOS-7098f804-9
0.304
JOH-UNI-c7afdb96-9
0.303
WAR-XCH-79d12f6e-1
0.300
WAR-XCH-b0339bbe-12
0.300
CLI-UNI-032f7715-2
0.300
CAS-DEP-e179b1f5-3
0.296
GIA-UNK-3f36037a-7
0.295
MAR-TRE-6c5ef77a-62
0.295
HAN-NEW-5f56c3bc-1
0.290
AAR-UNI-c25c2f1e-31
0.289
GIA-UNK-3f36037a-4
0.288
AAR-POS-d2a4d1df-11
0.286
MAR-TRE-0fda4e82-25
0.286
AHN-SAT-de2502ba-7
0.284
SID-ELM-2583a2cd-6
0.284
LON-WEI-b2874fec-15
0.282
MAR-TRE-e86a56b5-66
0.282
AAR-POS-0daf6b7e-44
0.281
MAK-UNK-30aad1f1-2
0.280
MAK-UNK-30aad1f1-3
0.280
JOH-UNI-c7afdb96-5
0.280
SID-ELM-8b394441-1
0.279
MAK-UNK-30aad1f1-17
0.276
MAR-TRE-1c920f6f-42
0.276
DAR-DIA-fc970077-9
0.275
GIA-UNK-3f36037a-2
0.275
ALE-HEI-f28a35b5-1
0.275
SID-ELM-2583a2cd-7
0.275
TRY-UNI-714a760b-4
0.275
SID-ELM-8b394441-6
0.274
WIL-UNI-5578df48-10
0.274
AAR-UNI-c25c2f1e-33
0.273
MAK-UNK-30aad1f1-16
0.272
MAR-TRE-0fda4e82-84
0.272
JAG-SYN-9c2cd0bd-9
0.271
WIL-UNI-5578df48-8
0.270
WIL-LEE-23e8b574-6
0.269
SID-ELM-2583a2cd-5
0.269
TRY-UNI-714a760b-8
0.268
MAR-TRE-6a44bbf2-86
0.268
LON-WEI-120e5cf5-15
0.268
MAR-TRE-a3327163-66
0.267
SID-ELM-8b394441-7
0.267
AAR-UNI-c25c2f1e-16
0.267
AAR-UNI-c25c2f1e-30
0.267
CHR-SOS-7098f804-7
0.265
MAR-TRE-0fda4e82-27
0.264
SID-ELM-8b394441-5
0.264
AAR-UNI-c25c2f1e-100
0.263
SID-ELM-2583a2cd-10
0.263
AAR-UNI-c25c2f1e-40
0.263
JOH-UNI-c7afdb96-10
0.263
MAK-UNK-30aad1f1-4
0.261
SID-ELM-8b394441-3
0.261
JAG-SYN-9c2cd0bd-8
0.260
SIM-SYN-a98e6a07-2
0.259
SWA-SYN-40d44a84-3
0.259
CHR-SOS-7098f804-8
0.258
SWA-SYN-59528602-3
0.257
TAT-ENA-80bfd3e5-23
0.257
SID-ELM-b654bfa2-2
0.257
MAK-UNK-129dcd6f-6
0.257
AAR-UNI-c25c2f1e-45
0.256
AAR-UNI-c25c2f1e-97
0.256
ALP-POS-02c6a514-56
0.255
JAG-SYN-9c2cd0bd-4
0.254
JAG-SYN-9c2cd0bd-14
0.254
SID-ELM-b654bfa2-3
0.253
MAR-TRE-67513f76-93
0.253
MAR-TRE-0fda4e82-57
0.253
MAK-UNK-10dfa458-39
0.253
AAR-UNI-c25c2f1e-71
0.253
ADA-UNI-f8e79267-4
0.253
MAT-POS-3d050446-1
0.250
JOH-UNI-522b0723-9
0.250
JOH-UNI-522b0723-10
0.250
JAG-SYN-9c2cd0bd-5
0.250
LIL-FNM-e1865f24-1
0.250
WAR-XCH-b0339bbe-20
0.250
WAR-XCH-79d12f6e-10
0.250
MAR-TRE-74c6519b-52
0.250
SAD-SAT-2fd372d1-8
0.250
MED-COV-dea4df70-1
0.250