Molecular Properties | |
SMILES: | Clc1cccc(CN2CCC(c3ccc4cc3C4)CC2)c1 |
MW: | 297.13 |
Fraction sp3: | 0.37 |
HBA: | 1 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 3.24 |
cLogP: | 4.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-24
0.612
SAD-SAT-7d5528d9-11
0.556
SAD-SAT-7d5528d9-6
0.539
AAR-POS-0daf6b7e-29
0.508
AAR-POS-d2a4d1df-35
0.462
JOH-UNI-0e1753c1-3
0.462
JOH-UNI-0e1753c1-2
0.462
MED-COV-4280ac29-15
0.462
SAD-SAT-7d5528d9-35
0.451
JOH-UNI-23d9e1b1-1
0.448
MAK-UNK-6ca90168-13
0.448
JOH-UNI-0e1753c1-1
0.443
SAD-SAT-7d5528d9-18
0.418
SAD-SAT-7d5528d9-15
0.405
SAD-SAT-7d5528d9-7
0.405
SAD-SAT-7d5528d9-13
0.398
ASH-SAT-43770c7d-3
0.397
MED-COV-4280ac29-13
0.392
AVI-UNI-c9bf710f-1
0.388
SAD-SAT-7d5528d9-49
0.373
DAN-LON-a5fc619e-4
0.372
SAD-SAT-7d5528d9-20
0.368
AVI-UNI-70b60925-1
0.364
DAN-LON-a5fc619e-10
0.362
SAD-SAT-7d5528d9-19
0.355
DAN-LON-a5fc619e-5
0.354
SEA-TRI-9e600f3c-1
0.353
SEA-TRI-146a67b6-1
0.353
ERI-UCB-a0b0dbcb-12
0.352
MIC-UNK-13557a72-1
0.347
MED-COV-4280ac29-2
0.345
DAN-LON-a5fc619e-1
0.333
DAN-LON-a5fc619e-2
0.333
SAD-SAT-7d5528d9-36
0.330
SAD-SAT-c989feaa-3
0.329
DAN-LON-a5fc619e-8
0.325
JOO-PER-74f994a9-1
0.324
ALP-POS-91609ae9-1
0.312
SAD-SAT-7d5528d9-42
0.311
SAD-SAT-c989feaa-5
0.310
JAN-GHE-f4ca5a00-16
0.309
DAN-LON-a5fc619e-3
0.306
SAD-SAT-c989feaa-7
0.306
SAD-SAT-c989feaa-6
0.306
JOH-UNI-0e1753c1-5
0.306
DAR-DIA-0f7b7cd9-2
0.306
JAN-GHE-f4ca5a00-14
0.305
GIA-UNK-5ec6c2b8-3
0.304
DAN-LON-a5fc619e-6
0.302
DAN-LON-a5fc619e-9
0.302
JOH-UNI-0e1753c1-4
0.302
MAK-UNK-ec98eaf6-44
0.301
ALP-POS-91609ae9-2
0.301
DAN-LON-a5fc619e-7
0.299
AAR-POS-d2a4d1df-24
0.297
DAR-DIA-093892e4-12
0.296
MAT-POS-ee51dedd-1
0.295
MAT-POS-500ca5bf-2
0.289
ALP-POS-90e38439-2
0.289
MIC-UNK-42806bd5-1
0.289
MAT-POS-bb423b95-4
0.286
ALP-POS-95b75b4d-5
0.286
MIC-UNK-fc94cdb5-1
0.286
CHO-MSK-00c5269a-5
0.284
MAK-UNK-ec98eaf6-45
0.284
JOK-SYG-18591e8f-1
0.282
NAM-UNK-f7c77a48-4
0.282
SAD-SAT-7d5528d9-38
0.281
MAK-UNK-ec98eaf6-46
0.281
VIT-UNK-2a0afa28-3
0.280
NAM-UNK-f7c77a48-3
0.280
MAK-UNK-e4a48a85-7
0.280
NAU-LAT-a5c7d7cb-14
0.279
PAT-UNK-b2d83456-3
0.278
MAR-TRE-4b834d9a-80
0.278
PET-UNK-8df914d1-5
0.277
ALP-POS-8b8a49e1-6
0.277
AHN-SAT-02ef6d10-10
0.276
PAT-UNK-b2d83456-1
0.276
GIA-UNK-595fac82-5
0.276
ALP-POS-8b8a49e1-7
0.276
SAD-SAT-7d5528d9-23
0.276
DAR-DIA-093892e4-11
0.276
DAR-DIA-0f7b7cd9-5
0.275
DAR-DIA-0f7b7cd9-4
0.275
JAN-GHE-5a013bed-5
0.274
JAN-GHE-f4ca5a00-17
0.274
MAR-TRE-b77b7921-33
0.272
MIC-UNK-4c7b8ba7-1
0.272
VLA-UCB-1dbca3b4-1
0.271
NAU-LAT-a5c7d7cb-13
0.271
ALP-POS-90e38439-1
0.271
JOH-ILL-da934517-4
0.271
MAR-TRE-b77b7921-79
0.270
TAM-UNI-d1c3dd9f-12
0.270
PAT-UNK-b2d83456-2
0.269
SAD-SAT-b55127ae-1
0.269
MAK-UNK-10799360-33
0.269
MAR-TRE-b77b7921-62
0.269
VIT-UNK-cff011c0-3
0.268