Molecular Properties | |
SMILES: | CCNC(=O)CC1(CC(=O)Nc2cccc(Cl)c2)C(=O)Nc2ccccc21 |
MW: | 385.12 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 87.3 |
cLogP: | 3.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-10ba69b4-3
0.753
MIC-UNK-10ba69b4-1
0.722
MIC-UNK-8373f97b-3
0.662
MIC-UNK-8373f97b-1
0.529
MIC-UNK-8373f97b-2
0.362
MIC-UNK-66895286-3
0.360
BEN-DND-61647d40-14
0.355
AAR-UNI-c25c2f1e-46
0.353
MIC-UNK-66895286-2
0.353
EDJ-MED-49816e9b-1
0.341
MIC-UNK-66895286-4
0.333
DAR-DIA-23aa0b97-12
0.330
MIC-UNK-66895286-5
0.319
BEN-DND-61647d40-15
0.319
BEN-DND-02317c5c-12
0.319
MAT-POS-bfb445d4-1
0.319
MAT-POS-3b92565d-14
0.319
BEN-DND-61647d40-12
0.319
PET-UNK-8922bd3c-1
0.316
JAG-UCB-252a2f58-1
0.311
BEN-DND-61647d40-13
0.309
BEN-DND-61647d40-11
0.309
BEN-DND-02317c5c-11
0.309
JIN-POS-6dc588a4-1
0.309
MAR-TRE-d0525fbf-58
0.306
JAG-UCB-ef2c0e8e-10
0.303
BEN-DND-61647d40-16
0.302
JAG-UCB-77729364-1
0.301
MAR-TRE-74c6519b-62
0.298
MAR-TRE-3e4e6814-40
0.297
RUB-POS-1325a9ea-24
0.295
MAR-TRE-3e4e6814-83
0.292
BEN-VAN-ed886787-18
0.291
TRY-UNI-714a760b-12
0.286
JAG-UCB-cedd89ab-8
0.286
TRY-UNI-9f475305-11
0.284
MAR-TRE-66ac689e-35
0.281
AAR-POS-fca48359-9
0.280
FAR-UNI-736b943a-7
0.280
AAR-UNI-c25c2f1e-40
0.280
ALP-POS-90e38439-1
0.278
VLA-UCB-1dbca3b4-1
0.278
RUB-POS-1325a9ea-23
0.278
NAU-LAT-a5c7d7cb-13
0.278
CHR-SOS-7098f804-8
0.277
AAR-UNI-c25c2f1e-78
0.277
TRY-UNI-714a760b-9
0.277
WAR-XCH-eb7b662f-7
0.276
DAR-DIA-23aa0b97-14
0.276
JOR-UNI-2fc98d0b-7
0.276
JAN-GHE-83b26c96-19
0.276
BEN-DND-61647d40-20
0.275
NAU-LAT-a5c7d7cb-14
0.273
ROB-UNI-daaf9793-2
0.273
JOH-UNI-c7afdb96-4
0.272
MAT-POS-0bc33984-2
0.269
AAR-UNI-c25c2f1e-30
0.269
NAU-LAT-4ce8bf23-1
0.269
SEA-TRI-6388eba6-1
0.268
DAR-DIA-23aa0b97-13
0.267
ALP-POS-90e38439-2
0.267
MIC-UNK-42806bd5-1
0.267
MAT-POS-500ca5bf-2
0.267
JOH-UNI-c7afdb96-5
0.266
BEN-DND-61647d40-19
0.266
RIT-AID-d1f3f5d2-1
0.265
SEA-TRI-5a552082-1
0.265
JAN-LUN-8953ce76-6
0.263
SEA-TRI-2dd971ce-1
0.263
JAN-LUN-3e0f9c09-1
0.263
JAG-UCB-cedd89ab-6
0.263
JAN-GHE-d851b096-9
0.259
JAN-GHE-5a013bed-9
0.258
EDG-MED-0da5ad92-12
0.258
MAR-TRE-799db12b-43
0.257
MAK-UNK-c8c8f7e2-17
0.255
EDJ-MED-c8e7a002-11
0.255
NAU-LAT-a5c7d7cb-10
0.255
RUB-POS-1325a9ea-1
0.255
MAT-POS-f7918075-7
0.255
NAU-LAT-4ce8bf23-3
0.255
VLA-UNK-eaa804fd-1
0.255
VLA-UNK-eaa804fd-2
0.255
MAR-TRE-f5c2d31c-11
0.255
MAK-UNK-752736de-3
0.253
MIC-UNK-66895286-1
0.253
EDG-MED-0da5ad92-2
0.253
MAT-POS-4211dce8-1
0.253
JAG-UCB-cedd89ab-7
0.253
LUI-IND-a1be81af-2
0.252
JAN-GHE-d851b096-4
0.252
DAR-DIA-03336633-3
0.252
ROB-UNI-daaf9793-3
0.250
RAL-MED-2de63afb-12
0.250
ALP-POS-8b8a49e1-5
0.250
ALP-POS-90e38439-3
0.250
MIC-UNK-42806bd5-2
0.250
MIC-UNK-fc94cdb5-1
0.250
SAD-SAT-7d5528d9-5
0.248
EDJ-MED-c8e7a002-16
0.248