Molecular Properties | |
SMILES: | CCC(=O)NCCC(=O)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 |
MW: | 392.459 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 95.16 |
cLogP: | 2.3682 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Long aliphatic chain
AAR-POS-0daf6b7e-10
JUA-UNI-a9dfaed1-5
0.744
MAR-TRE-c8530538-92
0.411
MAR-TRE-c8530538-97
0.384
MAR-TRE-c8530538-50
0.378
MAR-TRE-c8530538-16
0.374
MAR-TRE-c8530538-26
0.371
MAR-TRE-c8530538-86
0.370
MAR-TRE-c8530538-73
0.369
MAR-TRE-c8530538-55
0.364
MAR-TRE-c8530538-4
0.336
MAR-TRE-c8530538-10
0.333
JUA-UNI-b93289a4-4
0.327
MAR-TRE-c8530538-76
0.323
MAR-TRE-c8530538-71
0.321
ALP-POS-a1bdc92a-1
0.308
MAR-TRE-a3327163-9
0.303
ALP-POS-a3de0cb1-15
0.291
ALP-POS-a3de0cb1-16
0.289
HAO-BIO-c9aafde3-4
0.287
ALP-POS-bad7201a-14
0.287
MAR-TRE-a3327163-36
0.275
ALP-POS-a3de0cb1-1
0.273
MAR-TRE-14ce9fd6-13
0.268
GIA-UNK-3f36037a-5
0.267
AAR-UNI-c25c2f1e-41
0.267
MAT-POS-b5746674-58
0.267
JUA-UNI-b93289a4-6
0.267
MAR-TRE-c8530538-68
0.266
MAR-TRE-0fda4e82-24
0.264
LON-WEI-5e7d1b3e-72
0.261
MAT-POS-ea426761-13
0.261
LON-WEI-4d77710c-72
0.261
ALE-UNK-fca05062-6
0.259
DAR-DIA-8e329c92-1
0.257
JUA-UNI-a9dfaed1-4
0.257
KRI-MAR-d2e3ef86-16
0.257
MED-COV-4280ac29-26
0.255
CLI-TLC-2cc8a57a-1
0.255
JUA-UNI-bc099708-1
0.255
MAT-POS-b5746674-62
0.255
MAT-POS-b5746674-130
0.255
MAR-TRE-f5c2d31c-30
0.253
MAR-TRE-c8530538-90
0.253
MAR-TRE-87acfbcc-31
0.250
BAR-COM-4e090d3a-22
0.250
IAN-BAS-09a74a47-1
0.248
ALP-POS-6d04362c-1
0.248
MAT-POS-b5746674-136
0.248
ANT-OPE-7c194559-1
0.247
MAR-TRE-c8530538-79
0.245
MAR-TRE-4f781e27-83
0.245
MAT-POS-b5746674-59
0.245
MAR-TRE-fd17a9b8-80
0.243
MAR-TRE-3e4e6814-5
0.243
RED-RED-10c9212c-27
0.241
BEN-DND-7e92b6ca-3
0.240
ALP-UNI-ed5cdfd2-7
0.240
UNK-UNK-2ede4078-29
0.240
AAR-UNI-c25c2f1e-100
0.240
ANT-OPE-6a16a9ad-2
0.240
NAU-LAT-64f4b287-9
0.239
MAK-UNK-f983951f-26
0.238
MAR-TRE-3159af1a-14
0.238
MAR-TRE-3e4e6814-31
0.238
ALE-UNK-fca05062-3
0.237
MAT-POS-b5746674-134
0.236
MAR-LAB-efb042c5-6
0.236
NIC-BIO-3276ca7f-4
0.236
JAN-GHE-5a013bed-3
0.235
YIA-UNI-71f25a82-2
0.235
MAT-POS-b5746674-60
0.235
UNK-UNK-2ede4078-7
0.234
MAR-TRE-87acfbcc-39
0.234
RAL-THA-2d450e86-1
0.234
MAR-UCB-f313ec4d-1
0.234
MAT-POS-b5746674-131
0.234
UNK-UNK-2ede4078-101
0.233
NIC-BIO-3276ca7f-7
0.233
YIA-UNI-71f25a82-1
0.233
MAK-UNK-f983951f-22
0.233
MAR-TRE-ebcc4ad6-45
0.233
MAR-TRE-66ac689e-37
0.232
MAR-TRE-8190bb11-11
0.232
MAR-TRE-c8530538-54
0.231
MAR-TRE-c8530538-84
0.231
MAR-TRE-92684b97-98
0.231
MAR-TRE-c8530538-17
0.231
MAR-TRE-3159af1a-98
0.231
MAR-TRE-3e4e6814-7
0.230
MAT-POS-b5746674-61
0.230
MAR-TRE-9d18ae8c-53
0.230
NEL-UNI-1464a899-4
0.230
MAT-POS-b5746674-78
0.229
MAK-UNK-5d2caa6f-13
0.229
LON-WEI-5e7d1b3e-14
0.229
LON-WEI-4d77710c-14
0.229
MAT-POS-b5746674-132
0.229
ALP-POS-87c86d55-2
0.229
MAR-TRE-423310b6-10
0.228
ALE-UNK-fca05062-4
0.227