Molecular Properties | |
SMILES: | NC(=O)NC1(CC(=O)Nc2cccc(Cl)c2)C(=O)Nc2ccccc21 |
MW: | 358.08 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 4 |
Rotatable Bonds: | 4 |
TPSA: | 113.32 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-8373f97b-2
0.550
MIC-UNK-10ba69b4-2
0.529
MIC-UNK-10ba69b4-3
0.523
MIC-UNK-8373f97b-3
0.518
MIC-UNK-10ba69b4-1
0.517
MIC-UNK-66895286-2
0.370
MIC-UNK-66895286-5
0.364
JAG-UCB-252a2f58-1
0.357
MAT-POS-3b92565d-14
0.348
BEN-DND-61647d40-12
0.348
MAT-POS-bfb445d4-1
0.348
BEN-DND-02317c5c-12
0.348
MIC-UNK-66895286-3
0.345
BEN-DND-61647d40-14
0.341
BEN-DND-61647d40-15
0.333
PET-UNK-8922bd3c-1
0.330
EDJ-MED-49816e9b-1
0.326
BEN-DND-02317c5c-11
0.322
JIN-POS-6dc588a4-1
0.322
BEN-DND-61647d40-13
0.322
BEN-DND-61647d40-11
0.322
AAR-UNI-c25c2f1e-46
0.321
MIC-UNK-66895286-4
0.318
JAG-UCB-ef2c0e8e-10
0.318
DAR-DIA-23aa0b97-12
0.315
BEN-DND-61647d40-16
0.315
JAG-UCB-77729364-1
0.300
TRY-UNI-9f475305-11
0.297
DAR-DIA-23aa0b97-13
0.294
SEA-TRI-6388eba6-1
0.293
CHR-SOS-7098f804-8
0.291
JOR-UNI-2fc98d0b-7
0.289
JAN-GHE-83b26c96-19
0.289
DAR-DIA-23aa0b97-14
0.289
WAR-XCH-eb7b662f-7
0.289
TRY-UNI-714a760b-9
0.289
BEN-DND-61647d40-20
0.287
SEA-TRI-2dd971ce-1
0.287
MAR-TRE-3e4e6814-40
0.284
NAU-LAT-a5c7d7cb-14
0.284
ROB-UNI-daaf9793-2
0.284
TRY-UNI-714a760b-12
0.284
JAG-UCB-cedd89ab-8
0.284
RUB-POS-1325a9ea-24
0.280
AAR-POS-fca48359-9
0.279
FAR-UNI-736b943a-7
0.279
JOH-UNI-c7afdb96-5
0.278
BEN-DND-61647d40-19
0.278
BEN-VAN-ed886787-18
0.278
SEA-TRI-5a552082-1
0.277
JAN-LUN-3e0f9c09-1
0.274
JAG-UCB-cedd89ab-6
0.274
JAN-LUN-8953ce76-6
0.274
MAR-TRE-d0525fbf-58
0.269
MAT-POS-0bc33984-2
0.267
MAR-TRE-66ac689e-35
0.266
RUB-POS-1325a9ea-23
0.263
ALP-POS-90e38439-1
0.263
NAU-LAT-a5c7d7cb-13
0.263
VLA-UCB-1dbca3b4-1
0.263
JAG-UCB-cedd89ab-7
0.263
LUI-IND-a1be81af-2
0.263
AAR-UNI-c25c2f1e-78
0.261
SAD-SAT-7d5528d9-49
0.260
JAG-UCB-a3ef7265-15
0.258
MAR-TRE-3e4e6814-83
0.257
JAN-GHE-5a013bed-9
0.256
JOH-UNI-c7afdb96-4
0.256
JAN-GHE-d851b096-2
0.255
NAU-LAT-4ce8bf23-1
0.255
MEL-NAT-8c3652c8-5
0.253
NAU-LAT-4ce8bf23-3
0.252
VLA-UNK-eaa804fd-2
0.252
SAD-SAT-7d5528d9-36
0.252
MAR-TRE-74c6519b-62
0.252
MIC-UNK-66895286-1
0.250
EDG-MED-0da5ad92-2
0.250
SAD-SAT-7d5528d9-40
0.250
MAK-UNK-752736de-3
0.250
WAR-XCH-72a8c209-1
0.248
DAR-DIA-2964957d-5
0.247
JOH-UNI-abfda500-5
0.247
ANN-UNI-98d2bf15-3
0.247
ALP-POS-8b8a49e1-5
0.247
ALP-POS-90e38439-3
0.247
MIC-UNK-42806bd5-2
0.247
MIC-UNK-fc94cdb5-1
0.247
JAN-GHE-d851b096-9
0.245
VLA-UNK-411a133b-1
0.244
AAR-POS-0daf6b7e-11
0.244
LON-WEI-8f408cad-1
0.244
MAK-UNK-7a704a63-10
0.244
MIC-UNK-8971c93c-1
0.242
MAT-POS-f7918075-4
0.242
MAT-POS-f7918075-8
0.242
EDJ-MED-49816e9b-5
0.242
CHR-SOS-7098f804-12
0.241
PET-UNK-158bee2a-2
0.241
MAK-UNK-c8c8f7e2-15
0.241
MAK-UNK-7a704a63-8
0.241