Molecular Properties | |
SMILES: | CC(C(=O)N(C(=O)C(C)c1ccccc1)C1CCC(O)CC1)c1ccccc1 |
MW: | 379.5 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 57.61 |
cLogP: | 4.2525 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
acyclic_imide
Long aliphatic chain
WAR-XCH-bdd24732-2
0.531
WAR-XCH-bdd24732-40
0.333
WIL-LEE-23e8b574-5
0.328
WAR-XCH-72a8c209-7
0.315
SEL-UNI-cd366922-5
0.296
WAR-XCH-72a8c209-4
0.293
BEN-DND-03406596-4
0.292
BEN-DND-03406596-12
0.292
BEN-DND-03406596-11
0.292
BEN-DND-93268d01-1
0.292
TRY-UNI-714a760b-17
0.290
AHN-SAT-202241f6-1
0.290
WAR-XCH-bdd24732-30
0.280
WAR-XCH-bdd24732-6
0.274
BEN-DND-93268d01-15
0.271
WAR-XCH-b6889685-62
0.270
MAK-UNK-6ca90168-11
0.269
WAR-XCH-bdd24732-46
0.265
WAR-XCH-b0339bbe-21
0.264
TRY-UNI-714a760b-14
0.264
BEN-DND-93268d01-16
0.264
GIA-UNK-20b63697-5
0.263
GIA-UNK-20b63697-3
0.263
MAR-TRE-0fda4e82-57
0.260
SAM-UNK-2684b532-10
0.259
GIA-UNK-20b63697-6
0.257
WAR-XCH-bdd24732-44
0.250
AAR-UNI-c25c2f1e-38
0.250
SAD-SAT-d8079f6f-10
0.250
AAR-UNI-c25c2f1e-75
0.250
GIA-UNK-20b63697-9
0.247
GIA-UNK-20b63697-2
0.247
GIA-UNK-20b63697-4
0.247
LON-WEI-1908424e-16
0.246
VLA-UNK-b5cf542b-1
0.246
BAR-COM-4e090d3a-55
0.245
ALP-POS-90c18d1d-1
0.244
GIA-UNK-20b63697-8
0.244
ADA-UNI-f8e79267-4
0.244
MAR-TRE-fffca54f-75
0.243
GIA-UNK-c4371e97-2
0.243
WAR-XCH-bdd24732-43
0.242
DUN-NEW-f8ce3686-16
0.241
WAR-XCH-bdd24732-47
0.241
MAR-TRE-0fda4e82-25
0.239
MAR-TRE-d3c2bf0e-39
0.239
DRA-CSI-47e38074-2
0.238
WAR-XCH-72a8c209-6
0.238
WAR-XCH-72a8c209-11
0.238
YOI-UNK-a533afbc-6
0.237
MAR-TRE-04c86cea-19
0.237
YOI-UNK-12211982-6
0.237
MAR-TRE-0fda4e82-27
0.236
DUN-NEW-f8ce3686-15
0.236
WAR-XCH-72a8c209-10
0.235
TAM-UNI-c140e31a-10
0.235
WAR-XCH-bdd24732-5
0.234
RAL-MED-2de63afb-16
0.229
RAL-MED-2de63afb-15
0.229
GIA-UNK-d2defdc3-2
0.229
AUS-ARG-7cfdce8f-11
0.229
MAR-TRE-fffca54f-90
0.228
TRY-UNI-9f475305-8
0.227
JOH-IMS-0f19a540-14
0.227
NJA-MAN-b8640440-7
0.226
MAK-UNK-3e0761f8-9
0.226
RAL-MED-2de63afb-6
0.225
WAR-XCH-bdd24732-28
0.225
DUN-NEW-f8ce3686-17
0.225
WAR-XCH-bdd24732-39
0.225
MAK-UNK-5d2caa6f-24
0.225
SIM-SYN-f15aaa3a-1
0.224
MAK-UNK-6ca90168-12
0.224
WAR-XCH-bdd24732-32
0.224
WAR-XCH-bdd24732-31
0.224
WAR-XCH-72a8c209-14
0.222
RED-RED-10c9212c-37
0.221
MAK-UNK-27459e11-6
0.221
WAR-XCH-72a8c209-9
0.220
WAR-XCH-72a8c209-12
0.220
MAK-UNK-5d2caa6f-4
0.220
MAR-TRE-0fda4e82-37
0.219
MAR-LAB-efb042c5-2
0.218
ADA-UNI-f8e79267-5
0.218
GIA-UNK-7337c2f3-8
0.218
DUN-NEW-f8ce3686-18
0.217
NJA-MAN-b9fb953f-8
0.217
MAK-UNK-f0bfc2e0-2
0.217
ADA-UNI-f8e79267-1
0.217
MAK-UNK-752736de-8
0.217
MAK-UNK-2c1752f0-2
0.217
MAK-UNK-0d6072ac-2
0.216
MAK-UNK-af83ef51-2
0.216
ABI-SAT-4d06482b-1
0.216
MAK-UNK-df1a028e-9
0.216
MAK-UNK-10dfa458-9
0.216
SAD-SAT-c989feaa-4
0.215
MAR-TRE-8190bb11-56
0.215
MAK-UNK-bae89c02-2
0.215
DRA-CSI-47e38074-3
0.214