Molecular Properties | |
SMILES: | CCCCC(C(=O)Nn1nncc1C1CC1)c1cccc(Cl)c1 |
MW: | 332.14 |
Fraction sp3: | 0.47 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 59.81 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Singel acyclic N-N bonds
Long aliphatic chain
JAN-GHE-f4ca5a00-18
0.607
JAN-GHE-f4ca5a00-19
0.595
JAN-GHE-f4ca5a00-17
0.537
JAN-GHE-83b26c96-8
0.380
JAN-GHE-f4ca5a00-23
0.367
JAN-GHE-83b26c96-1
0.356
ADA-UNI-f8e79267-11
0.351
BRU-CON-67e07230-1
0.344
JUL-TUD-06b2044f-25
0.344
ALP-POS-3fc1724e-8
0.336
ADA-UNI-f8e79267-8
0.333
ALP-POS-3b848b35-4
0.333
JUL-TUD-06b2044f-24
0.333
MIC-UNK-c66144cb-3
0.333
EDG-MED-0da5ad92-5
0.326
JAN-GHE-f4ca5a00-11
0.323
JAN-GHE-f4ca5a00-14
0.323
ALP-POS-8ed8d9ec-15
0.314
MAK-UNK-f203cb68-3
0.313
ALP-POS-a3de0cb1-13
0.310
MIC-UNK-5a93dd5f-4
0.309
MIC-UNK-5a93dd5f-8
0.306
MIC-UNK-c66144cb-2
0.306
NAU-LAT-e1818702-11
0.305
MIC-UNK-c66144cb-1
0.303
NAU-LAT-e1818702-1
0.301
JAN-GHE-f4ca5a00-12
0.301
MIC-UNK-5a93dd5f-5
0.301
JAN-GHE-f4ca5a00-16
0.298
PET-UNK-8df914d1-5
0.298
MIC-UNK-5a93dd5f-6
0.297
MIC-UNK-5a93dd5f-9
0.297
MIC-UNK-5a93dd5f-2
0.296
MIC-UNK-5a93dd5f-1
0.296
MIC-UNK-5a93dd5f-11
0.292
JAN-GHE-83b26c96-2
0.292
JAN-GHE-f4ca5a00-15
0.289
JOH-UNI-3fc3434e-6
0.288
JOH-UNI-ee5ed7c8-6
0.288
NAU-LAT-a5c7d7cb-2
0.283
MIC-UNK-5a93dd5f-10
0.283
NIR-THE-590dedc7-1
0.283
MAK-UNK-f203cb68-1
0.283
MIC-UNK-6ab519a7-1
0.283
ADA-UCB-6c2cb422-9
0.282
VLA-UCB-05e51b3f-2
0.279
NAU-LAT-a5c7d7cb-3
0.279
JAN-GHE-83b26c96-10
0.278
GIA-UNK-c4371e97-3
0.278
MAR-TRE-66ac689e-92
0.278
JAN-GHE-5a013bed-1
0.278
MIC-UNK-5a93dd5f-7
0.276
MIC-UNK-5a93dd5f-3
0.276
NAU-LAT-e1818702-2
0.276
MAT-POS-1e5f28a7-1
0.276
AAR-POS-0daf6b7e-10
0.274
DAV-CRI-3edb475e-4
0.274
MAK-UNK-10799360-36
0.274
MIC-UNK-13557a72-1
0.272
WIL-LEE-1f71e281-4
0.272
MIC-UNK-5a93dd5f-12
0.271
JOH-UNI-3fc3434e-7
0.271
JOH-UNI-ee5ed7c8-7
0.271
SAM-UNK-2684b532-1
0.270
ADA-UCB-6c2cb422-8
0.270
EDJ-MED-cf4b0d25-4
0.269
EDG-MED-0da5ad92-15
0.269
PET-UNK-1320d94d-27
0.268
PET-UNK-1320d94d-28
0.268
JOH-IMS-1436231f-3
0.268
MAT-POS-bfb445d4-2
0.268
PET-UNK-1320d94d-30
0.268
PET-UNK-1320d94d-29
0.268
JAN-GHE-5a013bed-5
0.267
DAR-DIA-3e9bbd81-3
0.267
MAK-UNK-ec98eaf6-6
0.267
BAR-COM-0f94fc3d-55
0.267
PET-UNK-1320d94d-26
0.266
PET-UNK-1320d94d-25
0.266
MAT-POS-bb423b95-4
0.265
ALP-POS-95b75b4d-5
0.265
MAK-UNK-ec98eaf6-15
0.265
ALP-POS-ddb41b15-1
0.265
ADA-UNI-f8e79267-10
0.265
MAK-UNK-ec98eaf6-49
0.264
SAM-UNK-2684b532-7
0.263
NAU-LAT-e1818702-3
0.263
NAU-LAT-e1818702-4
0.263
EDJ-MED-a364e151-3
0.263
MIC-UNK-67d4a29a-2
0.262
PET-UNK-10339a1d-1
0.262
ALP-POS-a9ad2217-2
0.262
JAN-GHE-f4ca5a00-10
0.262
MAR-TRE-8190bb11-59
0.261
PET-UNK-8df914d1-4
0.261
EDJ-MED-cf4b0d25-3
0.261
EDJ-MED-ee07cf00-4
0.261
TRY-UNI-2eddb1ff-4
0.260
TRY-UNI-714a760b-18
0.260
JAN-GHE-83b26c96-5
0.260