Molecular Properties | |
SMILES: | COC(=O)[C@H](Cc1ccc(OC)cc1)N1C(=O)c2ccccc2C1=O |
MW: | 339.11 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 72.91 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7945301936 |
phthalimide
Ester
MAR-TRE-e86a56b5-50
0.732
MAR-TRE-e86a56b5-11
0.460
MAR-TRE-e86a56b5-83
0.435
MAR-TRE-e86a56b5-84
0.395
MAR-TRE-e86a56b5-64
0.375
MAR-TRE-85681e92-91
0.338
MAR-TRE-1c920f6f-59
0.333
MAR-TRE-4f39ef4a-52
0.308
MAR-TRE-e86a56b5-46
0.307
RAL-THA-2d450e86-4
0.300
MAR-TRE-e86a56b5-5
0.295
PEI-IMP-668afc53-1
0.294
MAR-TRE-66ac689e-9
0.293
MAR-TRE-fd17a9b8-91
0.289
MAT-POS-162a9720-11
0.288
MAR-TRE-e86a56b5-32
0.282
MAT-POS-b5746674-58
0.279
MAR-TRE-3e4e6814-93
0.278
MAR-TRE-0fda4e82-74
0.273
MAR-TRE-fd17a9b8-61
0.270
MAR-TRE-4b834d9a-39
0.270
MAR-TRE-e86a56b5-55
0.269
MAR-TRE-e86a56b5-6
0.267
ALP-POS-8ed8d9ec-3
0.265
MAR-TRE-36bf7dba-35
0.265
MAR-TRE-3724962b-16
0.264
MAT-POS-b5746674-62
0.264
AAR-POS-0daf6b7e-18
0.264
JOH-MSK-ec639444-3
0.263
MEL-NAT-8c3652c8-6
0.263
MAR-TRE-799db12b-84
0.263
DRA-CSI-47e38074-13
0.263
MAR-SOS-c7881798-1
0.262
DRA-CSI-47e38074-6
0.262
MAR-SOS-82e3a7c7-11
0.262
MAK-UNK-3f402c2b-27
0.260
KEI-TRE-fa9ada3e-1
0.258
KEI-TRE-12d22e85-1
0.258
MAR-TRE-66ac689e-89
0.256
MAR-TRE-8190bb11-70
0.256
LON-WEI-ff7b210a-6
0.255
MAR-TRE-04c86cea-56
0.255
MAR-TRE-e86a56b5-79
0.254
MAR-TRE-e86a56b5-73
0.253
KEI-TRE-d5e2018a-67
0.253
LON-WEI-b2874fec-20
0.250
MAR-TRE-2fd8122f-64
0.250
MAR-TRE-e86a56b5-21
0.250
MAR-TRE-d3c2bf0e-29
0.250
MAR-TRE-d3c2bf0e-70
0.250
MAR-TRE-85681e92-51
0.250
JOH-UNI-a5c0a47e-2
0.247
DRA-CSI-47e38074-8
0.247
NIM-UNI-13494739-8
0.247
MAR-TRE-6a44bbf2-77
0.247
MAR-TRE-3e4e6814-21
0.245
ALP-POS-a3de0cb1-14
0.245
MAR-TRE-a9136c7b-59
0.244
MAR-TRE-799db12b-46
0.244
AAR-POS-fca48359-4
0.242
MAR-TRE-1c920f6f-97
0.241
MAR-TRE-66ac689e-57
0.241
MAR-TRE-b77b7921-82
0.240
MAR-TRE-a3327163-40
0.240
NIM-UNI-13494739-7
0.239
TAT-ENA-80bfd3e5-17
0.239
MAT-POS-b5746674-63
0.239
MAR-TRE-4f781e27-60
0.239
KEW-UNK-a6a4efcf-1
0.238
MAR-TRE-8190bb11-96
0.237
MAR-TRE-4b834d9a-23
0.237
ALP-POS-a3de0cb1-3
0.237
MAR-TRE-e86a56b5-27
0.236
NIM-UNI-13494739-11
0.236
LOR-NOR-30067bb9-9
0.236
MAR-TRE-92684b97-92
0.236
MAR-TRE-04c86cea-67
0.235
GIA-UNK-4de5abb1-5
0.235
MAR-TRE-66ac689e-18
0.235
MAR-TRE-e86a56b5-15
0.234
LIZ-THE-6efed59f-3
0.233
MAR-TRE-d0525fbf-31
0.233
ALV-UNI-7ff1a6f9-47
0.233
MAR-TRE-8190bb11-30
0.233
MAR-TRE-799db12b-31
0.233
MAR-TRE-fffca54f-20
0.232
MAR-TRE-a3327163-100
0.232
MAR-TRE-799db12b-47
0.232
MAR-TRE-fd17a9b8-65
0.232
MAT-POS-b5746674-133
0.232
MAR-TRE-b77b7921-42
0.231
MAK-UNK-7c9d1431-17
0.231
MAR-TRE-e86a56b5-37
0.231
EDJ-MED-00c1612e-1
0.231
LON-WEI-b2874fec-22
0.231
PET-UNK-8df914d1-1
0.231
CHO-MSK-00c5269a-2
0.230
MAR-TRE-d0525fbf-9
0.230
MAR-TRE-d0525fbf-37
0.230
MAR-TRE-e86a56b5-98
0.230