Molecular Properties | |
SMILES: | CCCCC(C(=O)Nn1cnnc1C1CC1)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
0.646
JAN-GHE-f4ca5a00-20
0.595
JAN-GHE-f4ca5a00-16
0.525
JAN-GHE-f4ca5a00-22
0.381
JAN-GHE-83b26c96-8
0.380
BRU-CON-67e07230-1
0.374
JAN-GHE-f4ca5a00-11
0.365
JAN-GHE-83b26c96-1
0.356
ADA-UNI-f8e79267-11
0.351
ALP-POS-3b848b35-4
0.333
MIC-UNK-c66144cb-3
0.333
ADA-UNI-f8e79267-8
0.333
JAN-GHE-f4ca5a00-12
0.330
NAU-LAT-e1818702-1
0.330
EDG-MED-0da5ad92-5
0.326
ALP-POS-3fc1724e-8
0.324
JAN-GHE-f4ca5a00-14
0.323
JAN-GHE-f4ca5a00-17
0.323
NAU-LAT-e1818702-2
0.316
MIC-UNK-c66144cb-2
0.306
NAU-LAT-e1818702-11
0.305
MIC-UNK-c66144cb-1
0.303
MAK-UNK-f203cb68-3
0.300
MIC-UNK-5a93dd5f-4
0.297
EDG-MED-0da5ad92-15
0.297
GIA-UNK-c4371e97-3
0.292
JAN-GHE-74b8b0cb-2
0.291
JAN-GHE-f4ca5a00-15
0.289
JAG-UCB-a3ef7265-17
0.289
NAU-LAT-e1818702-7
0.289
NAU-LAT-e1818702-3
0.289
NAU-LAT-e1818702-4
0.289
JOH-UNI-3fc3434e-6
0.288
JOH-UNI-ee5ed7c8-6
0.288
WIL-LEE-1f71e281-3
0.286
MAK-UNK-f203cb68-1
0.283
JAN-GHE-5a013bed-5
0.282
MIC-UNK-5a93dd5f-8
0.282
ADA-UCB-6c2cb422-9
0.282
MIC-UNK-5a93dd5f-11
0.281
NAU-LAT-e1818702-6
0.280
MIC-UNK-5a93dd5f-5
0.278
ALP-POS-8ed8d9ec-15
0.278
PAU-WEI-b9b69149-3
0.275
MIC-UNK-5a93dd5f-6
0.274
MIC-UNK-5a93dd5f-9
0.274
AAR-POS-0daf6b7e-10
0.274
DAV-CRI-3edb475e-4
0.274
MIC-UNK-5a93dd5f-1
0.273
MIC-UNK-5a93dd5f-2
0.273
MED-COV-4280ac29-6
0.273
WIL-LEE-1f71e281-4
0.272
PET-UNK-8df914d1-5
0.271
PAU-WEI-b9b69149-1
0.270
EDJ-MED-cf4b0d25-4
0.269
ALP-POS-8ed8d9ec-3
0.268
EDJ-MED-c8e7a002-4
0.267
ALP-POS-a3de0cb1-13
0.267
JAN-GHE-83b26c96-2
0.265
MAK-UNK-c749d764-22
0.264
MAK-UNK-ffc90da7-4
0.264
JAN-GHE-f4ca5a00-9
0.264
JAN-GHE-5a013bed-1
0.264
NAU-LAT-e1818702-8
0.263
MAT-POS-1e5f28a7-1
0.263
NAU-LAT-e1818702-5
0.262
JAN-GHE-f4ca5a00-10
0.262
PET-UNK-8df914d1-4
0.261
JAN-GHE-5a013bed-4
0.261
VLA-UNK-411a133b-1
0.261
JAG-UCB-a3ef7265-15
0.261
MIC-UNK-5a93dd5f-12
0.261
MAK-UNK-10799360-36
0.260
EDJ-MED-c8e7a002-7
0.260
NIR-THE-590dedc7-1
0.259
MIC-UNK-6ab519a7-1
0.259
NAU-LAT-a5c7d7cb-2
0.259
MAK-UNK-ec98eaf6-50
0.259
MIC-UNK-5a93dd5f-10
0.259
JAN-GHE-299e5c7e-4
0.259
MED-COV-4280ac29-34
0.259
ADA-UCB-6c2cb422-8
0.259
ALP-POS-a3de0cb1-12
0.258
MIC-UNK-13557a72-1
0.258
EDJ-MED-49816e9b-5
0.258
EDJ-MED-ee07cf00-13
0.258
MAT-POS-a13804f0-1
0.258
MED-COV-4280ac29-7
0.258
JOH-IMS-1436231f-5
0.257
MAT-POS-c478e61b-2
0.256
ALP-POS-8b8a49e1-7
0.256
DAV-CRI-3edb475e-5
0.256
TRY-UNI-714a760b-15
0.255
MIC-UNK-8373f97b-5
0.255
PAU-WEI-b9b69149-2
0.255
NAU-LAT-a5c7d7cb-3
0.255
TRY-UNI-9f475305-8
0.255
VLA-UCB-05e51b3f-2
0.255
MIC-UNK-5a93dd5f-7
0.254
MIC-UNK-5a93dd5f-3
0.254