Molecular Properties | |
SMILES: | O=C1OC(N2C(=O)CC[C@H]2C(=O)Nc2cccc(Cl)c2)c2ccccc21 |
MW: | 370.792 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 75.71 |
cLogP: | 3.1387 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9929640579 |
MolPort: | MolPort-002-519-491 |
Ester
AAR-POS-d2a4d1df-1
AAR-POS-fca48359-9
1.000
JAG-UCB-ef2c0e8e-10
0.368
MIC-UNK-66895286-3
0.304
RIT-AID-d1f3f5d2-1
0.304
BEN-DND-61647d40-14
0.303
MIC-UNK-10ba69b4-1
0.299
BEN-DND-61647d40-11
0.299
BEN-DND-61647d40-13
0.299
JIN-POS-6dc588a4-1
0.299
BEN-DND-02317c5c-11
0.299
MIC-UNK-66895286-5
0.296
MIC-UNK-8373f97b-3
0.295
MIC-UNK-66895286-4
0.295
ALP-POS-8b8a49e1-6
0.289
RUB-POS-1325a9ea-16
0.289
EDJ-MED-49816e9b-1
0.287
JAG-UCB-252a2f58-1
0.287
BEN-DND-61647d40-19
0.284
BEN-DND-61647d40-12
0.283
MAT-POS-3b92565d-14
0.283
BEN-DND-02317c5c-12
0.283
MAT-POS-bfb445d4-1
0.283
MIC-UNK-10ba69b4-2
0.280
BEN-DND-61647d40-16
0.280
PET-UNK-8922bd3c-1
0.280
MIC-UNK-8373f97b-1
0.279
MIC-UNK-10ba69b4-3
0.278
DAR-DIA-23aa0b97-13
0.272
NAU-LAT-64bf4c5d-3
0.271
BEN-DND-61647d40-15
0.270
SEA-TRI-5a552082-1
0.270
LUI-IND-a1be81af-2
0.269
AAR-UNI-c25c2f1e-46
0.269
MIC-UNK-66895286-2
0.269
JAG-UCB-77729364-1
0.269
TRY-UNI-714a760b-9
0.268
DAR-DIA-23aa0b97-12
0.267
ROB-UNI-daaf9793-3
0.267
JAG-UCB-cedd89ab-6
0.267
WAR-XCH-eb7b662f-7
0.267
JOR-UNI-2fc98d0b-7
0.267
JAN-GHE-83b26c96-19
0.267
DAR-DIA-23aa0b97-14
0.267
NAU-LAT-28398581-3
0.264
TRY-UNI-9f475305-11
0.263
RUB-POS-1325a9ea-7
0.262
JAN-GHE-d851b096-2
0.262
NAU-LAT-56d5284e-3
0.261
RUB-POS-1325a9ea-24
0.260
SEA-TRI-6388eba6-1
0.260
MAK-UNK-c8c8f7e2-44
0.258
JOH-UNI-c7afdb96-5
0.258
RUB-POS-1325a9ea-23
0.257
NAU-LAT-a5c7d7cb-13
0.257
ALP-POS-90e38439-1
0.257
VLA-UCB-1dbca3b4-1
0.257
NAU-LAT-64bf4c5d-1
0.257
ALP-POS-8b8a49e1-2
0.257
RUB-POS-1325a9ea-22
0.255
NAU-LAT-e1818702-2
0.255
SEA-TRI-2dd971ce-1
0.255
JAN-LUN-8953ce76-6
0.255
JAN-LUN-3e0f9c09-1
0.255
NAU-LAT-56d5284e-8
0.255
LON-WEI-8f408cad-1
0.253
AAR-POS-0daf6b7e-11
0.253
BEN-DND-61647d40-20
0.253
MAK-UNK-7a704a63-10
0.253
ROB-UNI-daaf9793-2
0.252
NAU-LAT-a5c7d7cb-14
0.252
MAR-TRE-d0525fbf-58
0.252
JAG-UCB-cedd89ab-8
0.250
TAT-ENA-80bfd3e5-14
0.250
BEN-VAN-ed886787-18
0.250
PET-UNK-8df914d1-5
0.250
TRY-UNI-714a760b-12
0.250
MIC-UNK-13557a72-1
0.250
JAN-GHE-f4ca5a00-17
0.248
JIN-POS-6dc588a4-8
0.248
ALP-POS-8b8a49e1-7
0.247
MAR-TRE-3e4e6814-40
0.246
MAR-TRE-f5c2d31c-36
0.246
ALP-POS-95b75b4d-5
0.245
PET-UNK-f92d7c0c-8
0.245
RUB-POS-1325a9ea-20
0.245
PET-UNK-f92d7c0c-2
0.245
ROB-UNI-daaf9793-4
0.245
JAG-UCB-cedd89ab-7
0.245
MAT-POS-bb423b95-4
0.245
MAK-UNK-c8c8f7e2-21
0.245
MAK-UNK-752736de-3
0.244
BRU-UNI-248b30bc-26
0.244
MAK-UNK-1e8f9e3c-5
0.243
NAU-LAT-e1818702-3
0.243
MAR-TRE-3e4e6814-83
0.242
LON-WEI-120e5cf5-6
0.241
MIC-UNK-d935700b-2
0.240
COM-UCB-8c7d23dc-5
0.240
JAN-GHE-f4ca5a00-12
0.240
NAU-LAT-e1818702-1
0.240