Molecular Properties | |
SMILES: | CC(C)NC(=O)CC1(CC(=O)Nc2cccc(Cl)c2)C(=O)Nc2ccccc21 |
MW: | 399.13 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 87.3 |
cLogP: | 3.47 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-10ba69b4-2
0.753
MIC-UNK-10ba69b4-1
0.734
MIC-UNK-8373f97b-3
0.654
MIC-UNK-8373f97b-1
0.523
MIC-UNK-66895286-3
0.372
MIC-UNK-66895286-2
0.365
MIC-UNK-8373f97b-2
0.358
EDJ-MED-49816e9b-1
0.337
BEN-DND-61647d40-14
0.337
MIC-UNK-66895286-4
0.330
AAR-UNI-c25c2f1e-46
0.318
MAT-POS-3b92565d-14
0.316
BEN-DND-02317c5c-12
0.316
BEN-DND-61647d40-15
0.316
BEN-DND-61647d40-12
0.316
MAT-POS-bfb445d4-1
0.316
MIC-UNK-66895286-5
0.316
JAG-UCB-ef2c0e8e-10
0.315
DAR-DIA-23aa0b97-12
0.312
PET-UNK-8922bd3c-1
0.312
TRY-UNI-9f475305-11
0.309
JAG-UCB-252a2f58-1
0.308
JIN-POS-6dc588a4-1
0.305
BEN-DND-02317c5c-11
0.305
BEN-DND-61647d40-11
0.305
BEN-DND-61647d40-13
0.305
BEN-DND-61647d40-16
0.299
JAG-UCB-77729364-1
0.298
RUB-POS-1325a9ea-24
0.292
JAN-LUN-3e0f9c09-1
0.286
JAN-LUN-8953ce76-6
0.286
MAR-TRE-3e4e6814-40
0.283
ROB-UNI-daaf9793-2
0.283
NAU-LAT-a5c7d7cb-14
0.283
JAG-UCB-cedd89ab-8
0.283
TRY-UNI-714a760b-12
0.283
JAN-GHE-d851b096-9
0.280
MAR-TRE-d0525fbf-58
0.279
AAR-POS-fca48359-9
0.278
FAR-UNI-736b943a-7
0.278
BEN-VAN-ed886787-18
0.277
JOH-UNI-c7afdb96-5
0.277
SEA-TRI-5a552082-1
0.276
RUB-POS-1325a9ea-23
0.276
ALP-POS-90e38439-1
0.276
VLA-UCB-1dbca3b4-1
0.276
NAU-LAT-a5c7d7cb-13
0.276
CHR-SOS-7098f804-8
0.274
TRY-UNI-714a760b-9
0.274
MAR-TRE-74c6519b-62
0.274
SEA-TRI-2dd971ce-1
0.273
JAN-GHE-d851b096-4
0.273
DAR-DIA-23aa0b97-14
0.273
JOR-UNI-2fc98d0b-7
0.273
JAN-GHE-83b26c96-19
0.273
WAR-XCH-eb7b662f-7
0.273
BEN-DND-61647d40-20
0.272
SER-UNI-985a0e14-3
0.269
JOH-UNI-c7afdb96-4
0.269
MAR-TRE-3e4e6814-83
0.267
MAT-POS-0bc33984-2
0.266
MAR-TRE-66ac689e-35
0.265
SEA-TRI-6388eba6-1
0.265
NAU-LAT-4ce8bf23-3
0.264
ALP-POS-90e38439-2
0.264
MIC-UNK-42806bd5-1
0.264
MAT-POS-500ca5bf-2
0.264
DAR-DIA-23aa0b97-13
0.264
MIC-UNK-66895286-1
0.264
BEN-DND-61647d40-19
0.263
RIT-AID-d1f3f5d2-1
0.263
JAG-UCB-cedd89ab-7
0.263
MIC-UNK-42806bd5-2
0.261
ALP-POS-8b8a49e1-5
0.261
DAR-DIA-03336633-3
0.261
ALP-POS-90e38439-3
0.261
AAR-UNI-c25c2f1e-78
0.260
JAG-UCB-cedd89ab-6
0.260
MAK-UNK-7a704a63-9
0.258
EDG-MED-0da5ad92-21
0.258
AAR-POS-0daf6b7e-10
0.256
JAN-GHE-5a013bed-9
0.256
MAT-POS-bb423b95-5
0.255
JAN-GHE-d851b096-2
0.255
NAU-LAT-4ce8bf23-1
0.255
EDJ-MED-c8e7a002-11
0.253
NAU-LAT-a5c7d7cb-10
0.253
MAR-TRE-9d18ae8c-62
0.252
MIC-UNK-4c7b8ba7-1
0.250
MAR-TRE-799db12b-16
0.250
PET-UNK-f92d7c0c-8
0.250
LUI-IND-a1be81af-2
0.250
MAT-POS-4211dce8-1
0.250
EDG-MED-0da5ad92-2
0.250
RUB-POS-1325a9ea-20
0.250
PET-UNK-f92d7c0c-2
0.250
ROB-UNI-daaf9793-3
0.248
MIC-UNK-fc94cdb5-1
0.247
BAR-COM-0f94fc3d-53
0.245
MIC-UNK-d935700b-2
0.245