Molecular Properties | |
SMILES: | N#CC(C(=O)Nc1ccccc1)C(=O)c1cccc(Cl)c1 |
MW: | 298.729 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.96 |
cLogP: | 3.30118 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z638912400 |
Enamine REAL: | Z638912400 |
Enamine Extended REAL: | s_276436____14076146____14085848 |
Mcule: | MCULE-3484364661 |
MolPort: | MolPort-020-117-176 |
Order Status | |
Shipped: | 2020-05-13 |
beta-keto/anhydride
Ketone
oxy-amide
AAR-POS-d2a4d1df-1
JOH-UNI-c7afdb96-3
0.484
CHR-SOS-7098f804-8
0.483
JOH-UNI-c7afdb96-12
0.446
JOH-UNI-c7afdb96-5
0.437
JAN-GHE-4287bd1a-3
0.384
JOH-UNI-c7afdb96-1
0.379
JOH-SUS-bab12148-1
0.349
AAR-UNI-c25c2f1e-46
0.342
AAR-UNI-c25c2f1e-78
0.321
JOH-UNI-c7afdb96-14
0.319
CHR-SOS-7098f804-12
0.319
CHR-SOS-7098f804-9
0.317
CHR-SOS-7098f804-7
0.314
JOH-UNI-c7afdb96-8
0.307
NIM-UNI-6eebfcd4-1
0.303
JOH-UNI-c7afdb96-13
0.303
SID-ELM-8b394441-6
0.303
SAD-SAT-6b5a89f0-8
0.300
JOH-UNI-c7afdb96-7
0.299
SID-ELM-8b394441-7
0.295
SID-ELM-8b394441-5
0.293
PET-SGC-0f1d26ed-2
0.291
JOH-UNI-c7afdb96-6
0.291
MAR-TRE-14ce9fd6-61
0.290
JOH-UNI-c7afdb96-11
0.288
MAK-UNK-6ca90168-23
0.284
CHR-SOS-7098f804-2
0.282
WAR-XCH-79d12f6e-10
0.282
WAR-XCH-b0339bbe-20
0.282
MAX-MCD-16e3709a-1
0.281
TRY-UNI-9f475305-11
0.280
PET-SGC-0f1d26ed-1
0.280
MAR-TRE-1c920f6f-90
0.279
CHR-SOS-7098f804-21
0.276
MIC-UNK-8373f97b-3
0.275
MAK-UNK-6ca90168-15
0.274
SID-ELM-8b394441-3
0.274
MIC-UNK-66895286-2
0.273
JOH-UNI-ee5ed7c8-6
0.272
MIC-UNK-10ba69b4-2
0.272
JOH-UNI-3fc3434e-6
0.272
AAR-UNI-c25c2f1e-82
0.272
BEN-DND-1e24cf73-3
0.271
ALP-POS-0c2c77e1-1
0.271
MAT-POS-bb423b95-3
0.271
WIL-UNI-5578df48-9
0.271
BEN-DND-61647d40-20
0.269
JAG-UCB-ef2c0e8e-10
0.269
MIC-UNK-10ba69b4-3
0.269
MAR-TRE-0fda4e82-84
0.267
JIN-POS-6dc588a4-24
0.267
PET-UNK-158bee2a-2
0.267
JAG-UCB-cedd89ab-8
0.266
TRY-UNI-714a760b-12
0.266
SAM-UNK-2684b532-1
0.264
AAR-UNI-c25c2f1e-16
0.263
AAR-UNI-c25c2f1e-30
0.263
MAK-UNK-6ca90168-24
0.263
EDJ-MED-49816e9b-1
0.263
RIT-UNK-fa3975ff-1
0.261
CAS-DEP-e179b1f5-3
0.261
BEN-DND-031a96cc-8
0.260
AHN-SAT-de2502ba-7
0.260
MAR-TRE-e86a56b5-66
0.260
EDG-MED-0da5ad92-2
0.260
ALP-POS-8b8a49e1-8
0.259
SAD-SAT-1b030f84-3
0.259
RYA-UNI-9b5114df-1
0.258
JAN-GHE-d851b096-4
0.258
MED-COV-4280ac29-14
0.257
SID-ELM-8b394441-1
0.257
SID-ELM-b654bfa2-1
0.256
JOH-UNI-c7afdb96-2
0.256
NAU-LAT-64f4b287-8
0.256
AAR-UNI-c25c2f1e-65
0.256
MAR-TRE-1c920f6f-42
0.256
PET-UNK-158bee2a-1
0.256
MIC-UNK-66895286-4
0.256
VLA-UNK-4cf5aa07-1
0.256
AGN-NEW-c7b24fe3-4
0.256
MAK-UNK-30aad1f1-17
0.256
NAU-LAT-e1818702-9
0.256
MIC-UNK-8373f97b-1
0.256
CLI-UNI-032f7715-2
0.254
SWA-SYN-59528602-3
0.253
TRY-UNI-714a760b-4
0.253
ALE-HEI-f28a35b5-1
0.253
JOR-UNI-2fc98d0b-7
0.253
DAR-DIA-23aa0b97-14
0.253
WAR-XCH-eb7b662f-7
0.253
JAN-GHE-83b26c96-19
0.253
EDG-MED-0da5ad92-13
0.253
SID-ELM-b654bfa2-2
0.253
AAR-UNI-c25c2f1e-51
0.253
JOO-IND-6372a4f3-2
0.253
MAR-TRE-1c920f6f-98
0.253
BEN-DND-61647d40-14
0.253
TRY-UNI-9f475305-10
0.253
MAK-UNK-30aad1f1-16
0.253
JAN-GHE-d851b096-9
0.253