Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)N(Cc2ccccc2)CCN1c1cccnc1 |
MW: | 377.13 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 36.44 |
cLogP: | 4.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ERI-UCB-ce40166b-22
0.628
DAR-DIA-fc970077-8
0.400
PET-UNK-4dc48bbe-1
0.389
PET-UNK-4dc48bbe-7
0.386
DAR-DIA-fc970077-7
0.384
PET-UNK-7a31b064-6
0.383
PET-UNK-7a31b064-5
0.376
NIM-UNI-36e12f95-2
0.374
DAR-DIA-fc970077-12
0.356
DAR-DIA-fc970077-1
0.350
JAN-GHE-83b26c96-18
0.341
DAR-DIA-fc970077-10
0.337
EDJ-MED-e66f2cc5-2
0.337
DAR-DIA-43a5904b-1
0.337
BEN-DND-d1eb1f41-7
0.337
MAT-POS-24589f88-14
0.337
PET-UNK-4dc48bbe-2
0.330
DAV-CRI-1c77f7a9-4
0.324
DAR-DIA-fc970077-6
0.321
NIM-UNI-7f77122c-1
0.320
PET-UNK-4dc48bbe-5
0.319
MIC-UNK-df342a3f-1
0.317
DAR-DIA-43a5904b-15
0.313
DAR-DIA-43a5904b-13
0.311
DAR-DIA-fc970077-11
0.311
DAR-DIA-fc970077-4
0.311
MAR-TRE-9c797165-66
0.309
ERI-UCB-ce40166b-23
0.304
KEN-MCD-4729dc98-1
0.303
DAR-DIA-43a5904b-7
0.302
DAR-DIA-43a5904b-17
0.302
DAR-DIA-43a5904b-5
0.300
RAI-NOV-c18e0037-6
0.300
DAR-DIA-43a5904b-14
0.300
DAR-DIA-43a5904b-6
0.300
DAR-DIA-43a5904b-16
0.299
MAR-TRE-9c797165-7
0.298
DAR-DIA-43a5904b-12
0.297
EDJ-MED-e66f2cc5-1
0.296
DAR-DIA-fc970077-5
0.295
MAR-TRE-74c6519b-18
0.295
PET-UNK-94460c07-6
0.293
NIM-UNI-b87c0f72-1
0.292
NIM-UNI-b87c0f72-2
0.292
DAR-DIA-fc970077-2
0.289
PET-UNK-4dc48bbe-3
0.289
MAR-TRE-b77b7921-33
0.288
MIC-UNK-5ce21166-1
0.287
MIC-UNK-50cce87d-10
0.286
SAD-SAT-7d5528d9-7
0.286
PET-UNK-689df078-4
0.286
MAR-TRE-c8530538-20
0.284
MAK-UNK-9e4a73aa-3
0.284
MAK-UNK-9e4a73aa-2
0.284
PET-UNK-4dc48bbe-9
0.283
MIC-UNK-50cce87d-6
0.282
PET-UNK-94460c07-5
0.281
ALP-POS-91609ae9-3
0.280
PET-UNK-eda34f30-1
0.280
EDG-MED-0da5ad92-2
0.278
DAR-DIA-43a5904b-9
0.277
JOR-UNI-2fc98d0b-16
0.276
PET-UNK-7a31b064-4
0.276
VLA-UCB-1dbca3b4-12
0.276
PET-UNK-7b413b46-3
0.275
MIC-UNK-df342a3f-2
0.275
PET-UNK-7b413b46-7
0.275
DAR-DIA-43a5904b-8
0.275
DAN-LON-a5fc619e-1
0.274
PET-UNK-c9c1e0d8-3
0.274
DAR-DIA-bd041b9b-20
0.273
VLA-UCB-1dbca3b4-4
0.273
MAR-TRE-04c86cea-50
0.273
SAD-SAT-c989feaa-3
0.273
DRR-IMP-38dce17f-4
0.273
MAK-UNK-ec98eaf6-46
0.272
PET-UNK-7a31b064-3
0.272
JUL-TUD-06b2044f-78
0.271
JOR-UNI-2fc98d0b-4
0.271
JAN-GHE-83b26c96-16
0.271
EMI-TUK-b780fc43-1
0.271
EMI-TUK-6c6b371f-1
0.271
JAG-UCB-cedd89ab-1
0.271
TRY-UNI-1fd04853-5
0.270
DAR-DIA-43a5904b-11
0.269
NIM-UNI-7f77122c-3
0.269
PET-UNK-431b3bfb-1
0.269
ALP-UNI-58319883-2
0.269
PET-UNK-194f9da3-2
0.268
AAR-POS-0daf6b7e-26
0.267
MAK-UNK-6435e6c2-9
0.267
PAU-WEI-b9b69149-1
0.267
DAN-LON-a5fc619e-5
0.267
EDG-MED-5d232de5-7
0.267
EDG-MED-5d232de5-8
0.267
DAR-DIA-0f7b7cd9-5
0.267
GIA-UNK-80c9bc96-1
0.267
PET-UNK-c9c1e0d8-4
0.267
VLA-UNK-792b5d03-1
0.266
MIC-UNK-50cce87d-9
0.266