Molecular Properties | |
SMILES: | O=C(Nc1cncc2c1OCC2)C1Cc2cc(Cl)c(Cl)cc21 |
MW: | 334.03 |
Fraction sp3: | 0.25 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-44
0.482
JUL-TUD-06b2044f-60
0.458
JUL-TUD-06b2044f-22
0.453
JUL-TUD-06b2044f-5
0.404
JUL-TUD-06b2044f-61
0.387
JUL-TUD-06b2044f-62
0.376
EDJ-MED-976da9a6-1
0.355
BEN-DND-34fc7f90-1
0.351
BEN-DND-34fc7f90-7
0.351
JUL-TUD-06b2044f-49
0.340
BEN-DND-34fc7f90-4
0.340
BEN-DND-a02b439d-14
0.337
JUL-TUD-06b2044f-2
0.333
BEN-DND-34fc7f90-2
0.330
BEN-DND-34fc7f90-6
0.330
BEN-DND-a02b439d-15
0.327
BEN-DND-34fc7f90-5
0.327
BEN-DND-34fc7f90-8
0.327
BEN-DND-34fc7f90-3
0.320
JUL-TUD-06b2044f-23
0.320
BEN-DND-a02b439d-10
0.314
BAR-COM-0f94fc3d-59
0.312
VLA-UNK-56836b69-4
0.310
BEN-DND-a02b439d-11
0.308
BEN-DND-a02b439d-1
0.308
DAR-DIA-06c53477-1
0.304
BEN-DND-a7517465-10
0.304
ALP-UNI-8d415491-2
0.304
DAR-DIA-06c53477-2
0.304
BEN-DND-c852c98b-8
0.304
DAR-DIA-06c53477-3
0.304
MIC-UNK-b904ca85-2
0.301
BEN-DND-a02b439d-3
0.300
BEN-DND-a02b439d-2
0.299
JUL-TUD-06b2044f-42
0.299
ALP-POS-869ac754-1
0.297
RYA-UNI-6d7114fd-1
0.297
RAL-THA-05e671eb-2
0.297
EDJ-MED-1b5395f9-6
0.296
EDJ-MED-1b5395f9-5
0.296
EDJ-MED-1b5395f9-4
0.296
ROB-UNI-6ee2df8c-1
0.294
NAU-LAT-b7d8c353-2
0.292
MIC-UNK-8758c41d-3
0.291
ALP-POS-fe871b40-16
0.291
VLA-UNK-56836b69-1
0.291
MIC-UNK-b904ca85-4
0.290
EDJ-MED-1b5395f9-1
0.288
EDJ-MED-1b5395f9-2
0.288
EDJ-MED-1b5395f9-3
0.288
JUL-TUD-06b2044f-3
0.287
BEN-DND-a02b439d-9
0.287
BEN-DND-a02b439d-7
0.287
BEN-DND-f06bfa8e-9
0.287
MIC-UNK-b904ca85-3
0.287
JUL-TUD-06b2044f-46
0.286
JUL-TUD-06b2044f-10
0.286
BEN-DND-c852c98b-10
0.283
EDJ-MED-c7fc9efa-2
0.283
BEN-DND-a7517465-8
0.283
BEN-DND-c852c98b-9
0.282
BEN-DND-a7517465-9
0.282
JUL-TUD-ba2aea69-1
0.282
JUL-TUD-06b2044f-1
0.282
MAT-POS-afb6844f-3
0.282
BEN-DND-d1eb1f41-5
0.280
FRA-DIA-0fa076fe-2
0.280
RAL-THA-05e671eb-21
0.280
RAL-THA-05e671eb-16
0.279
BEN-DND-a02b439d-8
0.279
ALP-UNI-3735e77e-2
0.279
VLA-UNK-9a7dc93f-3
0.276
MIC-UNK-b904ca85-1
0.275
ALP-UNI-8d415491-3
0.275
ALF-EVA-82cf4849-9
0.275
PET-UNK-f4e47ebd-6
0.274
ALF-EVA-b701bd13-6
0.274
BEN-DND-f06bfa8e-8
0.273
BEN-DND-a02b439d-6
0.272
BEN-DND-a02b439d-5
0.272
JUL-TUD-06b2044f-103
0.271
EDJ-MED-a364e151-2
0.271
JUL-TUD-06b2044f-40
0.270
EDJ-MED-ee742daa-2
0.270
MAT-POS-bbbbc21a-3
0.269
RAL-THA-05e671eb-24
0.269
BEN-DND-a02b439d-4
0.269
ADA-UCB-6c2cb422-2
0.268
MAT-POS-afb6844f-1
0.267
MAT-POS-7ddaf7de-4
0.267
BEN-DND-f06bfa8e-6
0.267
MAT-POS-f39f51fd-1
0.267
ALF-EVA-b701bd13-2
0.266
ALP-POS-869ac754-2
0.265
ALF-EVA-b701bd13-4
0.265
BEN-DND-a7517465-3
0.264
RAL-THA-05e671eb-11
0.264
ALP-UNI-3735e77e-3
0.264
EDJ-MED-a364e151-3
0.263
FRA-DIA-0fa076fe-1
0.263