Molecular Properties | |
SMILES: | COc1c(Cl)cc(Cl)cc1CN1CCN(C(=O)c2cncc3ccc(F)cc23)CC1 |
MW: | 447.09 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 45.67 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-72
0.713
JUL-TUD-06b2044f-74
0.556
JUL-TUD-06b2044f-57
0.446
MAT-POS-54c4bf04-3
0.359
ALP-POS-3fc1724e-4
0.353
JUL-TUD-06b2044f-126
0.350
JUL-TUD-06b2044f-119
0.350
JUL-TUD-06b2044f-136
0.333
MIC-UNK-b9827f26-4
0.330
MAT-POS-8293a91a-8
0.319
EDG-MED-b1ef7fe3-2
0.317
EDJ-MED-b6c6ee2b-6
0.317
JUL-TUD-06b2044f-128
0.317
JOO-PER-58e158bd-1
0.317
JUL-TUD-06b2044f-81
0.315
LUO-POS-b4dec3be-1
0.305
MIK-ENA-4bb8c98f-1
0.305
LUO-POS-b4dec3be-2
0.305
MIK-ENA-610c7cf9-1
0.305
MAT-POS-b4d6b7fc-5
0.305
MAT-POS-c88128cb-12
0.303
JAN-GHE-fd8d85a5-3
0.301
MIC-UNK-b9827f26-2
0.300
JUL-TUD-06b2044f-71
0.300
PET-UNK-9bf1291a-2
0.300
PET-UNK-49566573-4
0.298
PET-UNK-9bf1291a-4
0.296
ALP-POS-ce760d3f-5
0.296
JUL-TUD-06b2044f-30
0.295
EDJ-MED-611d11e7-4
0.294
MAR-UCB-f313ec4d-6
0.294
MAT-POS-a5ef2d74-2
0.294
MAT-POS-ec6d90b7-4
0.294
MIC-UNK-b9827f26-3
0.293
ERI-UCB-d6de1f3c-2
0.292
PET-UNK-1b92fa34-6
0.292
MAT-POS-a334828f-3
0.291
HYO-UNK-50298ba0-1
0.291
MAT-POS-853c0ffa-14
0.291
PET-UNK-b78139fa-16
0.291
MIC-UNK-b9827f26-5
0.291
SAD-SAT-f0a2747f-8
0.291
PET-UNK-03fd2068-7
0.289
PET-UNK-4b4f2bb7-6
0.289
MED-COV-4280ac29-37
0.288
PET-UNK-49566573-3
0.287
JUL-TUD-06b2044f-29
0.286
PET-UNK-1b92fa34-8
0.285
MAT-POS-590ac91e-69
0.284
MAT-POS-11ebe265-1
0.284
ALP-POS-3fc1724e-3
0.283
DAR-DIA-fb20be43-1
0.283
EDJ-MED-841e0cf0-3
0.282
EDJ-MED-670ad2ee-3
0.282
EDJ-MED-923a35c2-5
0.282
VLA-UNK-58704097-1
0.281
MIC-UNK-b9827f26-1
0.281
DAR-DIA-fb20be43-5
0.280
EDJ-MED-841e0cf0-8
0.279
EDJ-MED-670ad2ee-12
0.279
EDJ-MED-670ad2ee-11
0.279
MAT-POS-c88128cb-13
0.279
KRI-MAR-d2e3ef86-6
0.278
MAT-POS-853c0ffa-21
0.278
EDJ-MED-b6c6ee2b-7
0.278
MAT-POS-81ae2990-6
0.278
MAT-POS-c7726e07-4
0.278
MAT-POS-e119ab4f-2
0.278
MAT-POS-c7726e07-3
0.278
MAT-POS-61f37a1a-14
0.277
KIM-UNI-7d12df64-1
0.277
JAN-GHE-fd8d85a5-10
0.277
PET-UNK-bcc8fd08-2
0.276
BEN-VAN-d8fd1356-24
0.276
PAU-UNI-19862c28-1
0.276
DAR-DIA-fb20be43-8
0.276
PET-UNK-03fd2068-10
0.276
MAT-POS-81ae2990-3
0.275
EDJ-MED-841e0cf0-7
0.274
EDJ-MED-670ad2ee-10
0.274
EDJ-MED-923a35c2-4
0.274
JUL-TUD-06b2044f-75
0.274
EDJ-MED-670ad2ee-9
0.274
MAT-POS-4e253971-2
0.274
PAU-UNI-52c0427f-1
0.274
BRU-LEF-ae0885ba-1
0.274
DAR-DIA-fb20be43-4
0.274
ERI-UCB-d6de1f3c-7
0.274
PET-UNK-b566c0b0-8
0.273
PET-UNK-bcc8fd08-5
0.273
KIM-UNI-7d12df64-3
0.273
EDG-MED-b8f93667-1
0.273
JAN-GHE-fd8d85a5-1
0.272
DAR-DIA-9f765dc6-15
0.271
DAR-DIA-9f765dc6-13
0.271
DAR-DIA-9f765dc6-14
0.271
ERI-UCB-d6de1f3c-6
0.271
PET-UNK-03fd2068-3
0.270
PET-UNK-6e612674-5
0.270
PET-UNK-6e612674-13
0.270