Molecular Properties | |
SMILES: | CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCOCC1 |
MW: | 361.16 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.89 |
cLogP: | 1.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7487298333 |
MolPort: | MolPort-001-943-861 |
Ester
MAT-POS-b5746674-65
0.658
MAT-POS-b5746674-66
0.571
MAT-POS-b5746674-67
0.379
BEN-DND-93268d01-10
0.356
JOH-MEM-5e386bbd-4
0.337
MAR-TRE-fd17a9b8-97
0.324
MAR-TRE-3e4e6814-16
0.305
MAR-UCB-195bc32d-20
0.301
MAK-UNK-be5ffcbc-7
0.301
JOH-MSK-a63bdd1d-8
0.292
DAR-DIA-8e329c92-8
0.288
MAR-TRE-c317dd82-10
0.281
BEN-DND-09b88bf4-6
0.278
BEN-DND-6de5dfa0-7
0.278
MAT-POS-b5746674-63
0.277
LOR-NOR-30067bb9-9
0.275
MAR-TRE-fd17a9b8-36
0.273
MAT-POS-4e253971-3
0.272
MAR-LAB-ca4662a6-5
0.269
MAR-TRE-fd17a9b8-20
0.266
TAT-ENA-80bfd3e5-30
0.266
MAR-TRE-3159af1a-82
0.265
EDJ-MED-c8e7a002-2
0.265
JOH-MSK-35a8745a-1
0.263
ALE-ACE-2610ee4d-1
0.263
MAR-UCB-195bc32d-21
0.263
DAR-DIA-fb20be43-18
0.261
MAR-TRE-0fda4e82-37
0.261
EDJ-MED-c8e7a002-3
0.260
MAR-TRE-c317dd82-38
0.259
MAR-TRE-3159af1a-95
0.259
MAR-TRE-be9ff7d2-73
0.257
MAR-TRE-c317dd82-27
0.257
AAR-UNI-c25c2f1e-34
0.257
MAK-UNK-748f8b7a-11
0.253
WIL-LEE-23e8b574-6
0.250
MAR-TRE-85681e92-12
0.250
ERI-UCB-a0b0dbcb-11
0.248
MAT-POS-b5746674-114
0.248
MAR-TRE-6a44bbf2-42
0.248
JOH-MSK-a63bdd1d-7
0.247
AGN-NEW-9d245c51-5
0.246
MAR-TRE-85681e92-20
0.245
JAG-UCB-c61058a9-46
0.244
JAG-UCB-52b62a6f-8
0.243
MAR-TRE-d0525fbf-99
0.243
MAR-TRE-a9136c7b-11
0.243
BAR-COM-0f94fc3d-39
0.243
SAD-SAT-7d5528d9-1
0.243
BEN-DND-03406596-7
0.242
BEN-DND-6de5dfa0-1
0.242
BEN-DND-09b88bf4-2
0.242
MAR-TRE-3e4e6814-25
0.241
MAR-TRE-be9ff7d2-7
0.241
KRI-MAR-d2e3ef86-13
0.241
BEN-DND-7e92b6ca-11
0.241
AGN-NEW-051944a9-4
0.239
ANT-LOU-17aa1493-3
0.239
MAT-POS-3b92565d-5
0.239
ALP-POS-a3de0cb1-11
0.238
BEN-DND-6de5dfa0-14
0.238
MAR-UNI-9ca61fdc-1
0.237
AGN-NEW-051944a9-2
0.237
MAR-TRE-c317dd82-23
0.236
BEN-DND-09b88bf4-7
0.236
DAR-DIA-eace69ff-35
0.236
MAR-TRE-9d18ae8c-86
0.236
ALP-POS-a3de0cb1-14
0.235
MAR-TRE-c317dd82-81
0.233
MAR-TRE-67513f76-19
0.232
BEN-DND-93268d01-9
0.232
BEN-DND-09b88bf4-5
0.232
BEN-DND-93268d01-11
0.232
MAR-TRE-3159af1a-88
0.231
MAR-TRE-c317dd82-45
0.230
BEN-DND-6de5dfa0-21
0.230
PAT-GYR-359dbb24-3
0.230
BEN-DND-6de5dfa0-22
0.229
JUL-TUD-06b2044f-153
0.227
BEN-DND-93268d01-8
0.227
EDJ-MED-3c65e9ce-1
0.227
BEN-DND-6de5dfa0-18
0.227
MAR-TRE-c317dd82-69
0.226
MAR-TRE-8190bb11-100
0.226
MAR-TRE-4f781e27-67
0.226
MAR-TRE-7f7bb9f0-88
0.226
MAR-TRE-2fd8122f-35
0.226
JOH-MEM-5e386bbd-5
0.226
MAR-UCB-195bc32d-23
0.226
MAR-TRE-d3c2bf0e-32
0.225
MAR-TRE-4f39ef4a-34
0.225
MAK-UNK-acefcb18-20
0.225
EDJ-MED-3c65e9ce-4
0.224
DRA-CSI-7ec17797-5
0.224
BEN-DND-09b88bf4-8
0.223
MAR-TRE-c8530538-7
0.223
MAR-TRE-04c86cea-33
0.223
EDJ-MED-dfa1d800-2
0.223
MAR-TRE-be9ff7d2-16
0.222
JAG-UCB-52b62a6f-12
0.222