Molecular Properties | |
SMILES: | CC1(c2cccc(CC(=O)Nc3cncc4c3CCCC4)c2)CC1 |
MW: | 320.19 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0cde14eb-34
0.773
DAR-DIA-0cde14eb-33
0.760
DAR-DIA-0cde14eb-32
0.750
DAR-DIA-0cde14eb-45
0.722
EDJ-MED-a364e151-1
0.680
MAT-POS-199e2e7c-1
0.603
DAR-DIA-0cde14eb-35
0.590
DAR-DIA-0cde14eb-40
0.570
DAR-DIA-0cde14eb-1
0.570
DAR-DIA-0cde14eb-46
0.529
DAR-DIA-0cde14eb-37
0.467
DAR-DIA-0cde14eb-38
0.467
DAR-DIA-0cde14eb-44
0.462
DAR-DIA-0cde14eb-42
0.462
DAR-DIA-0cde14eb-36
0.451
DAR-DIA-0cde14eb-41
0.447
DAR-DIA-0cde14eb-39
0.441
DAR-DIA-0cde14eb-43
0.433
DAR-DIA-0cde14eb-4
0.432
DAR-DIA-0cde14eb-2
0.420
DAR-DIA-0cde14eb-3
0.416
DAR-DIA-0cde14eb-14
0.402
EDJ-MED-976da9a6-2
0.398
JIN-POS-6dc588a4-20
0.398
MAT-POS-14ad9fe9-1
0.398
DAR-DIA-0cde14eb-49
0.394
DAR-DIA-0cde14eb-48
0.383
DAR-DIA-0cde14eb-47
0.379
EDJ-MED-976da9a6-1
0.368
DAR-DIA-0cde14eb-59
0.367
RUB-POS-1325a9ea-1
0.366
MAT-POS-f7918075-7
0.366
ALP-POS-95b75b4d-4
0.348
PET-UNK-8df914d1-3
0.345
MIC-UNK-50cce87d-3
0.344
RUB-POS-1325a9ea-3
0.344
ALP-UNI-8d415491-2
0.343
BAR-COM-0f94fc3d-49
0.340
DAR-DIA-0cde14eb-78
0.337
JIN-POS-6dc588a4-12
0.330
ALP-POS-95b75b4d-9
0.330
RUB-POS-1325a9ea-19
0.330
ANN-UNI-98d2bf15-2
0.330
EDJ-MED-e58735b6-2
0.330
TRY-UNI-714a760b-6
0.330
JAN-GHE-83b26c96-13
0.330
ALP-POS-95b75b4d-2
0.330
ALP-POS-95b75b4d-1
0.326
ABI-SAT-4d06482b-2
0.326
JAN-GHE-83b26c96-12
0.326
JAN-GHE-5a013bed-10
0.326
MIC-UNK-50cce87d-4
0.323
RUB-POS-1325a9ea-9
0.323
DAR-DIA-0cde14eb-79
0.323
DAR-DIA-0cde14eb-5
0.323
MIC-UNK-50cce87d-2
0.323
JOH-UNI-abfda500-4
0.322
TRY-UNI-714a760b-3
0.322
ALP-POS-95b75b4d-8
0.322
SAM-UNK-2684b532-13
0.322
PET-UNK-6314f867-3
0.320
RUB-POS-1325a9ea-13
0.319
JIN-POS-6dc588a4-6
0.319
EDJ-MED-e58735b6-1
0.319
MAK-UNK-6ca90168-23
0.319
ALP-POS-95b75b4d-6
0.318
RUB-POS-1325a9ea-5
0.316
RUB-POS-1325a9ea-2
0.316
MIC-UNK-50cce87d-1
0.316
JIN-POS-6dc588a4-3
0.315
JAN-GHE-83b26c96-14
0.315
SAD-SAT-24589cd1-5
0.315
DAR-DIA-0cde14eb-76
0.315
ALP-POS-95b75b4d-3
0.315
DAR-DIA-0cde14eb-16
0.314
KIM-UNI-60f168f5-1
0.313
SAD-SAT-7d5528d9-1
0.313
ALP-POS-95b75b4d-10
0.312
MIC-UNK-8971c93c-1
0.312
MAT-POS-f7918075-4
0.312
TRY-UNI-714a760b-20
0.312
DAR-DIA-0cde14eb-10
0.309
EDJ-MED-e58735b6-3
0.309
RAL-THA-2d450e86-13
0.309
JOH-UNI-abfda500-7
0.309
MAT-POS-bb423b95-4
0.309
ALP-POS-95b75b4d-5
0.309
ANN-UNI-98d2bf15-3
0.308
JOH-UNI-abfda500-5
0.308
EDG-MED-0da5ad92-16
0.307
JIN-POS-6dc588a4-13
0.305
ANN-UNI-98d2bf15-5
0.305
RUB-POS-1325a9ea-12
0.305
TRY-UNI-714a760b-19
0.305
EDJ-MED-a364e151-3
0.305
JOH-UNI-3fc3434e-3
0.303
JOH-UNI-ee5ed7c8-3
0.303
DAR-DIA-0cde14eb-50
0.303
MAK-UNK-ffc90da7-5
0.303
RUB-POS-1325a9ea-11
0.302