Molecular Properties | |
SMILES: | Cc1ccc(CCC(=O)NC2CCOc3cc(Cl)c(Cl)cc32)cn1 |
MW: | 364.07 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 51.22 |
cLogP: | 4.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-31
0.488
ALP-POS-bea7b391-3
0.390
JUL-TUD-06b2044f-32
0.380
IND-SYN-6c8299e8-6
0.372
RAL-THA-05e671eb-2
0.330
ALP-POS-869ac754-1
0.330
VLA-UNK-56836b69-4
0.330
RYA-UNI-6d7114fd-1
0.330
MAT-POS-162a9720-6
0.329
BEN-DND-02317c5c-2
0.327
JUL-TUD-06b2044f-105
0.321
JUL-TUD-06b2044f-10
0.320
AAR-UNI-c25c2f1e-96
0.320
ROB-UNI-6ee2df8c-1
0.314
JUL-TUD-06b2044f-25
0.313
JUL-TUD-06b2044f-63
0.309
MAK-UNK-942dcb71-9
0.306
MAK-UNK-919546f0-6
0.304
JUL-TUD-06b2044f-66
0.297
EDJ-MED-611d11e7-6
0.294
RAL-THA-05e671eb-9
0.294
MAT-POS-96f51285-5
0.294
MAT-POS-ec6d90b7-7
0.294
MAT-POS-96f51285-4
0.292
EDJ-MED-611d11e7-3
0.292
EDJ-MED-611d11e7-12
0.291
PET-UNK-f4e47ebd-5
0.291
MAT-POS-a5ef2d74-1
0.291
MAT-POS-ec6d90b7-3
0.291
JUL-TUD-06b2044f-90
0.289
NAU-LAT-64bf4c5d-3
0.288
PET-UNK-03fd2068-2
0.288
BAR-COM-0f94fc3d-31
0.286
PET-UNK-f4e47ebd-8
0.284
ALP-UNI-3735e77e-3
0.284
RAL-THA-05e671eb-11
0.284
JUL-TUD-06b2044f-27
0.284
JUL-TUD-06b2044f-41
0.283
MAT-POS-a13804f0-2
0.282
MAT-POS-a13804f0-3
0.282
ALP-POS-d91e0300-1
0.282
ALP-POS-fe871b40-9
0.282
PET-UNK-f4e47ebd-6
0.282
RAL-THA-05e671eb-10
0.282
MAK-UNK-942dcb71-10
0.280
ADA-UCB-dc2b944c-10
0.279
JUL-TUD-06b2044f-8
0.276
JUL-TUD-06b2044f-7
0.275
ALP-POS-64a6e87e-1
0.275
JUL-TUD-06b2044f-106
0.274
PET-UNK-f4e47ebd-7
0.274
ALF-EVA-a24cc7ce-6
0.273
BEN-DND-02317c5c-4
0.270
MAK-UNK-752736de-5
0.270
EDJ-MED-611d11e7-9
0.270
MAT-POS-96f51285-3
0.270
MAK-UNK-8be7dca9-2
0.270
EDG-MED-fe7487f8-15
0.269
JAG-UCB-571deb56-4
0.269
NAU-LAT-28398581-3
0.269
MAT-POS-d8472c4f-6
0.268
MAT-POS-14f31916-1
0.268
BEN-DND-d1eb1f41-13
0.267
JAG-UCB-c61058a9-41
0.267
DAR-DIA-6a508060-15
0.267
BEN-DND-d1eb1f41-11
0.265
JAG-UCB-571deb56-5
0.265
TAT-ENA-0e28ea53-1
0.264
MAT-POS-7ddaf7de-1
0.264
JAG-UCB-571deb56-3
0.264
ADA-UCB-dc2b944c-12
0.264
JOH-SUS-a69c159d-1
0.264
BEN-DND-d1eb1f41-12
0.263
MAT-POS-51833a24-3
0.261
BEN-DND-d1eb1f41-17
0.261
RAL-THA-b74298ba-1
0.260
MAT-POS-500f4700-1
0.259
ALF-EVA-5b152d2f-8
0.259
EDG-MED-0da5ad92-13
0.258
JUL-TUD-06b2044f-146
0.257
JUL-TUD-06b2044f-65
0.255
JUL-TUD-06b2044f-24
0.255
NAU-LAT-8502cac5-16
0.255
NAU-LAT-64bf4c5d-5
0.255
PET-UNK-b1ef24dc-8
0.255
ALP-POS-82da25a3-1
0.254
RAL-THA-9041a04d-7
0.254
MAT-POS-7ddaf7de-4
0.252
MAT-POS-8293a91a-1
0.252
MAT-POS-b5c94171-1
0.252
BAR-COM-0f94fc3d-8
0.252
BEN-DND-d1eb1f41-18
0.252
MIC-UNK-5b1ead09-2
0.252
JOH-UNI-1b27fa5e-5
0.252
MAK-UNK-8be7dca9-5
0.252
JAG-UCB-571deb56-2
0.252
JAG-UCB-571deb56-6
0.252
BAR-COM-0f94fc3d-29
0.250
MAT-POS-1f3c8e6f-1
0.250
NAU-LAT-28398581-2
0.250