Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1CN1CCN(C(=O)CCl)C[C@H]1CC(C)C |
MW: | 372.14 |
Fraction sp3: | 0.61 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 32.78 |
cLogP: | 3.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
DAN-LON-a5fc619e-3
0.575
JOH-UNI-0e1753c1-5
0.575
SAD-SAT-c989feaa-4
0.538
SAD-SAT-c989feaa-8
0.512
SAD-SAT-c989feaa-1
0.506
SAD-SAT-c989feaa-2
0.483
SAD-SAT-c989feaa-9
0.478
SAD-SAT-c989feaa-6
0.416
JOH-UNI-0e1753c1-4
0.411
SAD-SAT-c989feaa-10
0.404
SAD-SAT-c989feaa-5
0.389
PAT-MCD-fb0933e5-1
0.372
MAK-UNK-ec98eaf6-17
0.358
MED-COV-4280ac29-37
0.356
STU-CHA-0be58c98-1
0.351
ANT-OPE-e67e7ba0-1
0.347
DAN-LON-a5fc619e-1
0.337
MAK-UNK-ec98eaf6-45
0.333
SAD-SAT-c989feaa-3
0.333
SAL-INS-1ea6d4ee-4
0.327
DAR-DIA-1a77c53a-3
0.325
DAR-DIA-1a77c53a-4
0.325
DAN-LON-a5fc619e-9
0.323
DAN-LON-a5fc619e-6
0.323
DAN-LON-a5fc619e-7
0.320
SAD-SAT-5b1897b2-5
0.318
MAK-UNK-10799360-12
0.315
MAK-UNK-10799360-8
0.312
MAK-UNK-10799360-10
0.312
SAD-SAT-65574d3f-10
0.303
DRR-IMP-38dce17f-8
0.301
STU-CHA-6d5cfe2b-1
0.301
SAL-INS-1ea6d4ee-3
0.298
MED-COV-4280ac29-38
0.298
JOH-UNI-27ac80fd-28
0.297
STU-CHA-6cae54d3-1
0.294
THO-SYG-f9b2970d-4
0.293
MAT-POS-3b92565d-7
0.293
THO-SYG-f9b2970d-2
0.293
STU-CHA-5350f95a-1
0.292
MAK-UNK-7c9d1431-30
0.290
MAR-TRE-6a44bbf2-45
0.290
DAR-DIA-1a77c53a-10
0.288
DAR-DIA-1a77c53a-11
0.288
HYO-UNK-50298ba0-1
0.287
STU-CHA-7b3b91d5-1
0.287
MAK-UNK-5d2caa6f-23
0.286
MED-COV-4280ac29-33
0.286
SAD-SAT-c989feaa-7
0.286
MAK-UNK-7c9d1431-19
0.286
DAN-PUR-3907f623-1
0.286
MAK-UNK-af83ef51-2
0.281
ASH-SAT-43770c7d-4
0.280
MAK-UNK-ec98eaf6-14
0.278
MAR-TRE-fd17a9b8-94
0.278
PAU-UNI-8cdd41c7-1
0.277
JOH-UNI-27ac80fd-38
0.277
SAD-SAT-581007d4-2
0.276
DUN-NEW-f8ce3686-22
0.275
JAR-KUA-8c13982c-20
0.275
AVI-UNI-70b60925-1
0.274
STU-CHA-128b80be-2
0.274
DAR-DIA-1a77c53a-12
0.273
DAR-DIA-1a77c53a-13
0.273
MAK-UNK-ec98eaf6-24
0.272
HYO-UNK-1819783d-1
0.272
DAN-LON-a5fc619e-4
0.271
GIA-UNK-4de5abb1-5
0.271
AAR-POS-0daf6b7e-18
0.271
SAD-SAT-65574d3f-9
0.271
DAR-DIA-1a77c53a-6
0.270
DAR-DIA-1a77c53a-5
0.270
MAK-UNK-df1a028e-8
0.270
MAK-UNK-6ca90168-15
0.267
DAR-DIA-3e9bbd81-1
0.267
SAD-SAT-b55127ae-1
0.267
MAR-TRE-6a44bbf2-39
0.267
AAR-POS-d2a4d1df-33
0.267
KIM-UNI-7d12df64-3
0.267
MAK-UNK-90d0606b-2
0.265
DRR-IMP-db50bf6e-3
0.265
MAK-UNK-7c9d1431-29
0.265
SEA-TRI-fac72a44-1
0.265
MAT-POS-3b92565d-10
0.265
HYO-UNK-49a60884-1
0.264
MED-COV-4280ac29-15
0.264
AAR-POS-d2a4d1df-35
0.264
JOH-UNI-0e1753c1-3
0.264
AHN-SAT-de2502ba-3
0.264
STU-CHA-128b80be-1
0.264
MAR-TRE-6a44bbf2-82
0.263
DAR-DIA-fb20be43-7
0.263
JOO-PER-58e158bd-1
0.263
MAK-UNK-5d2caa6f-6
0.262
AVI-UNI-70b60925-2
0.262
SAD-SAT-581007d4-7
0.261
MAT-POS-2db6411e-2
0.261
SAD-SAT-581007d4-1
0.261
MED-COV-4280ac29-6
0.261
JOH-UNI-0e1753c1-1
0.261