Molecular Properties | |
SMILES: | CCN(C)c1cccc(N(C(=O)C2CCOc3ccccc32)c2cnccc2C)c1 |
MW: | 401.21 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 45.67 |
cLogP: | 5.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
CHE-UNK-1fcbaeee-4
0.680
CHE-UNK-1fcbaeee-2
0.465
CHE-UNK-1fcbaeee-3
0.434
MAK-UNK-3875bbc8-3
0.413
ANT-OPE-3d7cb11b-2
0.379
TAT-ENA-80bfd3e5-3
0.354
SAD-SAT-7d5528d9-3
0.343
CHE-UNK-1fcbaeee-1
0.342
NAU-LAT-8502cac5-9
0.339
ANT-OPE-3d7cb11b-1
0.337
CHE-UNK-1fcbaeee-5
0.336
NAU-LAT-8502cac5-7
0.327
ANT-OPE-66a89c65-1
0.327
MAK-UNK-3875bbc8-1
0.325
RAL-THA-05e671eb-1
0.318
EDJ-MED-0e996074-1
0.318
EDJ-MED-2c295496-1
0.318
ROB-UNI-afd54964-1
0.313
ANT-OPE-66a89c65-2
0.309
ANT-OPE-3d7cb11b-4
0.306
VLA-UCB-50c39ae8-7
0.306
VLA-UCB-05e51b3f-10
0.306
MAT-POS-090737b9-1
0.306
NAU-LAT-8502cac5-1
0.301
WIL-UCB-7ba4ac3a-2
0.299
DAR-DIA-5ff57136-4
0.299
MAK-UNK-3875bbc8-2
0.299
DAR-DIA-5ff57136-3
0.299
ERI-UCB-5b47150d-5
0.299
MAT-POS-b3e365b9-3
0.295
MAT-POS-b3e365b9-4
0.295
BRU-CON-c4e3408a-1
0.295
DAR-DIA-6a508060-6
0.295
JAN-GHE-f4ca5a00-13
0.295
DAR-DIA-5ff57136-19
0.295
VLA-UCB-05e51b3f-4
0.294
VLA-UCB-50c39ae8-1
0.294
DAR-DIA-5ff57136-14
0.293
VLA-UCB-50c39ae8-6
0.287
VLA-UCB-05e51b3f-9
0.287
DAR-DIA-6a508060-14
0.286
TRY-UNI-69298daf-1
0.286
DAR-DIA-5ff57136-9
0.285
MAT-POS-9db1e783-3
0.285
VLA-UNK-5c5a631c-3
0.280
VLA-UNK-4b5c0188-1
0.280
BEN-DND-d1eb1f41-12
0.279
BAR-COM-ebf5acce-4
0.278
DAR-DIA-5ff57136-11
0.278
DAR-DIA-5ff57136-15
0.278
DAR-DIA-5ff57136-16
0.278
JOH-UNI-ea72002d-7
0.278
VLA-UCB-34f3ed0c-19
0.276
MAT-POS-162a9720-6
0.276
UNK-UNK-2ede4078-50
0.274
VLA-UCB-05e51b3f-7
0.274
VLA-UCB-50c39ae8-4
0.274
JOH-UNI-ea72002d-6
0.273
DAR-DIA-5ff57136-17
0.273
ALP-POS-a0a4abd7-9
0.273
DAR-DIA-6a508060-15
0.272
BAR-COM-ebf5acce-5
0.271
GAB-REV-70cc3ca5-19
0.270
DAR-DIA-5ff57136-13
0.270
LON-WEI-0a73fcb8-1
0.270
PET-UNK-064639eb-3
0.268
PET-UNK-064639eb-6
0.268
ERI-UCB-5b47150d-3
0.268
LON-WEI-0a73fcb8-2
0.267
ALP-UNI-44c99a80-2
0.267
EDG-MED-0da5ad92-1
0.267
JAN-GHE-83b26c96-15
0.267
BEN-DND-d1eb1f41-17
0.266
MAR-TRE-92684b97-45
0.266
VLA-UNK-5c5a631c-2
0.266
VLA-UCB-34f3ed0c-1
0.266
JOH-UNI-ea72002d-1
0.266
RAL-THA-3d7a794f-3
0.265
MAT-POS-a54ce14d-1
0.264
RAL-THA-9041a04d-4
0.264
NAU-LAT-b7d8c353-6
0.264
MAK-UNK-752736de-5
0.264
LON-WEI-0a73fcb8-5
0.264
VLA-UCB-34f3ed0c-20
0.264
VLA-UNK-5c5a631c-1
0.263
ANT-OPE-06da2058-1
0.263
JOH-UNI-a38a7bdd-7
0.263
MAK-UNK-83e0a0b4-4
0.262
DAR-DIA-5ff57136-18
0.262
DAR-DIA-076fb6ea-2
0.261
BAR-COM-ebf5acce-8
0.261
RAL-THA-05e671eb-34
0.261
ALP-UNI-44c99a80-3
0.260
MAK-UNK-83e0a0b4-3
0.259
NAU-LAT-3f5f3993-3
0.259
RAL-THA-05e671eb-12
0.258
RAL-THA-05e671eb-5
0.258
ADA-UCB-dc2b944c-5
0.258
RAL-THA-04c5403f-1
0.258
BEN-DND-6de5dfa0-17
0.257