Molecular Properties | |
SMILES: | O=C(NC(=O)c1[nH]c2cc(Cl)ccc2c1-c1cncn1Cc1cncnc1)NC1CCCCC1 |
MW: | 477.956 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 117.59 |
cLogP: | 4.2952 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
MAK-UNK-f2409524-7
0.322
MAK-UNK-f2409524-3
0.312
MAK-UNK-f2409524-6
0.303
MAK-UNK-f2409524-4
0.294
ZAC-WAB-b0242612-1
0.284
MAK-UNK-f2409524-14
0.281
DAR-DIA-03336633-3
0.277
CES-WAB-18e74d70-1
0.274
PET-SGC-c429dc17-1
0.274
ALE-HEI-f28a35b5-8
0.264
MAK-UNK-f2409524-15
0.262
NIC-UNI-f08e2453-2
0.262
AAR-POS-d2a4d1df-12
0.259
TRY-UNI-714a760b-11
0.259
ALE-HEI-f28a35b5-7
0.259
MAK-UNK-f2409524-36
0.257
MAK-UNK-f2409524-37
0.256
MAK-UNK-f2409524-33
0.252
DAR-DIA-03336633-7
0.250
DAR-DIA-03336633-6
0.250
MAK-UNK-f2409524-34
0.248
MAR-TRE-f6f5f473-96
0.248
LON-WEI-af038623-1
0.246
EDJ-MED-51d3200d-2
0.244
MAK-UNK-f2409524-16
0.244
MAR-TRE-f6f5f473-16
0.244
MAK-UNK-f2409524-31
0.244
DAR-DIA-03336633-5
0.244
AAR-UNI-c25c2f1e-3
0.244
CAL-WAB-b78df3bb-1
0.243
DAR-DIA-03336633-1
0.242
HAN-NEW-5f56c3bc-3
0.242
MAK-UNK-f2409524-18
0.242
MAR-TRE-8190bb11-75
0.242
MAK-UNK-748f8b7a-7
0.241
MAR-TRE-799db12b-51
0.238
MAR-TRE-e82e6c98-33
0.238
MAR-TRE-a9136c7b-90
0.237
MAK-UNK-f2409524-13
0.237
MAK-UNK-f2409524-32
0.235
MAR-TRE-04c86cea-8
0.235
DAR-DIA-03336633-12
0.235
JAG-UCB-571deb56-3
0.234
MAT-POS-7ddaf7de-1
0.234
DAR-DIA-03336633-2
0.234
DAR-DIA-03336633-4
0.234
MAK-UNK-f2409524-28
0.233
NIM-UNI-310206f0-56
0.232
TRY-UNI-714a760b-7
0.232
MAR-TRE-9d18ae8c-16
0.232
PET-UNK-8df914d1-5
0.231
HYO-UNK-50298ba0-1
0.231
CHO-MSK-6e55470f-2
0.231
GAB-REV-70cc3ca5-16
0.229
RAL-THA-9041a04d-3
0.229
MAR-TRE-04c86cea-36
0.229
BRU-THA-40a53a3c-1
0.228
MAK-UNK-f2409524-35
0.227
MAK-UNK-748f8b7a-15
0.226
MAK-UNK-f2409524-27
0.226
MAR-TRE-c317dd82-80
0.225
MAR-TRE-a9136c7b-89
0.225
RAL-THA-8416115c-14
0.224
PET-SGC-f913cec9-1
0.224
NIM-UNI-363644a0-2
0.224
JOH-UNI-04a01eac-2
0.223
NAM-UNK-f7c77a48-2
0.223
MAK-UNK-f2409524-2
0.222
RAL-THA-a9c31980-2
0.222
RAL-THA-8416115c-5
0.222
MAR-TRE-3159af1a-49
0.222
AAR-UNI-c25c2f1e-96
0.221
MAR-TRE-b77b7921-35
0.221
RAL-THA-8416115c-13
0.221
RAL-THA-3d7a794f-1
0.220
PET-UNK-3e029fdc-1
0.220
MAR-TRE-9d18ae8c-57
0.220
MAK-UNK-d508046f-8
0.220
RAL-MED-2de63afb-5
0.220
DOU-UNK-b5326f8f-3
0.220
MAR-TRE-9d18ae8c-78
0.219
MAR-TRE-f6f5f473-76
0.219
MAR-TRE-8190bb11-99
0.219
MAR-TRE-e82e6c98-25
0.219
EDG-MED-e300b289-1
0.218
JAG-UCB-52b62a6f-2
0.218
MAK-UNK-f2409524-19
0.218
LON-WEI-4d77710c-27
0.218
LON-WEI-5e7d1b3e-27
0.218
DAN-MCD-881986d8-1
0.217
RAL-THA-3d7a794f-3
0.217
NAU-LAT-e1818702-11
0.217
MAR-TRE-f5c2d31c-13
0.216
MAK-UNK-748f8b7a-4
0.216
EDJ-MED-e69ed63d-9
0.216
MAR-TRE-9d18ae8c-34
0.216
MAR-TRE-e82e6c98-65
0.216
NIM-UNI-310206f0-18
0.215
DAR-DIA-03336633-13
0.215
MAR-TRE-f6f5f473-98
0.215