Molecular Properties | |
SMILES: | O=C(NCc1cccc(NC(=O)C2CCCCC2)c1)NC1CCCCC1 |
MW: | 357.24 |
Fraction sp3: | 0.62 |
HBA: | 2 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 70.23 |
cLogP: | 4.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-16
0.590
MAR-TRE-9d18ae8c-34
0.544
MAR-TRE-799db12b-4
0.416
MAR-TRE-799db12b-51
0.407
AAR-POS-d2a4d1df-12
0.395
AAR-UNI-c25c2f1e-24
0.376
ALE-HEI-f28a35b5-8
0.368
AAR-UNI-c25c2f1e-2
0.366
AAR-UNI-c25c2f1e-82
0.366
DAR-DIA-03336633-2
0.362
AAR-UNI-c25c2f1e-31
0.361
AAR-UNI-c25c2f1e-35
0.361
DAR-DIA-03336633-3
0.360
AAR-UNI-c25c2f1e-18
0.356
DAR-DIA-03336633-4
0.350
DAR-DIA-03336633-1
0.344
HAN-NEW-5f56c3bc-3
0.344
DAR-DIA-03336633-7
0.340
PET-SGC-c429dc17-1
0.337
CES-WAB-18e74d70-1
0.337
MAK-UNK-f2409524-18
0.333
MAK-UNK-f2409524-15
0.333
AAR-UNI-c25c2f1e-65
0.333
MAK-UNK-f2409524-33
0.330
ZAC-WAB-b0242612-1
0.329
NIC-UNI-f08e2453-2
0.327
LON-WEI-af038623-1
0.326
MAR-TRE-799db12b-14
0.326
MAR-TRE-799db12b-97
0.326
AAR-UNI-c25c2f1e-21
0.326
AAR-UNI-c25c2f1e-8
0.326
ALE-HEI-f28a35b5-7
0.325
TRY-UNI-714a760b-11
0.325
DAR-DIA-03336633-14
0.323
WIL-UNI-1faa9b10-23
0.321
RAL-MED-2de63afb-12
0.318
LON-WEI-120e5cf5-6
0.317
MAK-UNK-f2409524-16
0.317
SIM-DEM-2843056b-6
0.316
MAK-UNK-f2409524-35
0.316
MAK-UNK-f2409524-14
0.316
MAK-UNK-f2409524-36
0.315
WIL-UNI-5578df48-17
0.315
MAK-UNK-f2409524-3
0.315
AAR-UNI-c25c2f1e-75
0.315
MAR-TRE-92684b97-6
0.312
MAR-TRE-799db12b-2
0.311
PET-SGC-a9e9d4f4-1
0.311
LON-WEI-120e5cf5-19
0.310
MAR-TRE-66ac689e-37
0.310
AAR-UNI-c25c2f1e-93
0.309
MAR-TRE-4f781e27-2
0.308
MAR-TRE-9d18ae8c-52
0.308
MAR-TRE-9d18ae8c-53
0.307
DAR-DIA-03336633-5
0.306
DAR-DIA-03336633-13
0.306
MAR-TRE-799db12b-27
0.303
MAR-TRE-799db12b-16
0.303
MAR-TRE-9d18ae8c-43
0.301
SIM-DEM-1d7050d3-1
0.301
MAR-TRE-9d18ae8c-18
0.297
MAR-TRE-799db12b-24
0.297
MAR-TRE-9d18ae8c-54
0.297
MAR-TRE-799db12b-3
0.297
MAR-TRE-799db12b-33
0.297
MAK-UNK-009ebe36-7
0.296
WIL-UNI-5578df48-25
0.295
AAR-UNI-c25c2f1e-4
0.295
MAR-TRE-9d18ae8c-10
0.295
MAR-TRE-9d18ae8c-36
0.293
MAR-TRE-9d18ae8c-30
0.293
MAK-UNK-f2409524-31
0.293
MAR-TRE-a9136c7b-11
0.293
MAR-TRE-799db12b-76
0.292
MAK-UNK-f2409524-4
0.292
LON-WEI-120e5cf5-2
0.292
MAK-UNK-f2409524-32
0.291
MAR-TRE-9d18ae8c-7
0.290
MAR-TRE-f6f5f473-77
0.290
SIM-DEM-2843056b-1
0.290
AAR-UNI-c25c2f1e-78
0.287
MAK-UNK-f2409524-19
0.287
MAR-TRE-9d18ae8c-11
0.287
MAK-UNK-f2409524-7
0.286
DAR-DIA-03336633-6
0.286
ERI-BAS-50567787-1
0.284
MAK-UNK-f2409524-34
0.283
MAK-UNK-30aad1f1-6
0.283
BAR-COM-4e090d3a-61
0.283
AAR-UNI-c25c2f1e-96
0.280
BAR-COM-0f94fc3d-33
0.276
ERI-BAS-bd3ef700-1
0.275
MAR-TRE-f6f5f473-80
0.275
LON-WEI-4d77710c-27
0.274
LON-WEI-5e7d1b3e-27
0.274
LON-WEI-120e5cf5-9
0.273
SIM-DEM-2843056b-3
0.273
MAK-UNK-f2409524-17
0.272
PET-SGC-f913cec9-1
0.272
MAK-UNK-f2409524-20
0.272