Molecular Properties | |
SMILES: | O=C(O)c1cccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)c1 |
MW: | 301.1 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 92.7 |
cLogP: | 1.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Carboxylic acid esters
Ester
WEI-UNI-64684f14-1
0.449
MAK-UNK-90d0606b-8
0.281
LON-WEI-120e5cf5-19
0.272
MAK-UNK-9159f8ed-6
0.260
MAK-UNK-1e8f9e3c-1
0.260
JAG-UCB-ef2c0e8e-2
0.259
JOO-IND-6372a4f3-1
0.256
MAK-UNK-10dfa458-25
0.250
MAK-UNK-1e8f9e3c-3
0.250
MAK-UNK-9159f8ed-4
0.248
MAK-UNK-10dfa458-3
0.247
MAK-UNK-10dfa458-22
0.247
JAG-UCB-ef2c0e8e-10
0.247
MAK-UNK-6435e6c2-4
0.247
MAK-UNK-9159f8ed-2
0.245
MAK-UNK-9159f8ed-5
0.245
MAR-TRE-fd17a9b8-52
0.245
MAK-UNK-7a704a63-8
0.244
MAK-UNK-c8c8f7e2-15
0.244
MAK-UNK-7a704a63-3
0.241
MAK-UNK-c8c8f7e2-13
0.241
AAR-POS-d2a4d1df-38
0.239
MAK-UNK-10dfa458-32
0.239
MAK-UNK-c8c8f7e2-42
0.239
MAK-UNK-9159f8ed-1
0.239
AAR-UNI-c25c2f1e-75
0.237
MAK-UNK-c8c8f7e2-16
0.236
JOO-IND-6372a4f3-2
0.234
AAR-POS-fca48359-9
0.234
FAR-UNI-736b943a-7
0.234
LON-WEI-8f408cad-1
0.233
MAK-UNK-7a704a63-10
0.233
MAK-UNK-7a704a63-9
0.233
AAR-POS-0daf6b7e-11
0.233
BAR-COM-21d20d65-4
0.232
JOO-IND-6372a4f3-3
0.232
MEL-NAT-8c3652c8-5
0.230
MAK-UNK-987948f6-11
0.230
MAK-UNK-c8c8f7e2-14
0.230
MAK-UNK-7a704a63-2
0.230
MAK-UNK-c8c8f7e2-30
0.230
MAK-UNK-c8c8f7e2-17
0.228
MAK-UNK-c8c8f7e2-27
0.227
MAK-UNK-c8c8f7e2-43
0.227
MAK-UNK-c8c8f7e2-18
0.226
MAK-UNK-9159f8ed-3
0.225
WIL-UNI-1faa9b10-36
0.223
MAK-UNK-5d2caa6f-19
0.222
RAL-MED-2de63afb-4
0.222
RAL-MED-2de63afb-9
0.220
MAK-UNK-7a704a63-1
0.218
MAK-UNK-c8c8f7e2-19
0.218
MAK-UNK-c8c8f7e2-22
0.217
MAR-TRE-9c797165-80
0.217
MAK-UNK-c8c8f7e2-24
0.217
MAK-UNK-1e8f9e3c-2
0.217
MAK-UNK-7a704a63-13
0.216
MAK-UNK-c8c8f7e2-26
0.216
MAK-UNK-7a704a63-12
0.216
MAK-UNK-c8c8f7e2-23
0.215
AAR-UNI-c25c2f1e-30
0.215
MAR-TRE-fd17a9b8-63
0.214
AAR-UNI-c25c2f1e-21
0.214
MAK-UNK-1e8f9e3c-5
0.214
BAR-COM-4e090d3a-60
0.214
RAL-MED-2de63afb-10
0.213
JAN-LUN-3e0f9c09-1
0.212
JAN-LUN-8953ce76-6
0.212
DAN-MCD-0742953f-1
0.212
AAR-UNI-c25c2f1e-93
0.212
MAR-TRE-2fd8122f-29
0.212
MAK-UNK-c8c8f7e2-21
0.211
MAK-UNK-c8c8f7e2-44
0.211
WIL-UNI-1faa9b10-46
0.211
TRY-UNI-714a760b-9
0.211
WIL-UNI-1faa9b10-47
0.210
LON-WEI-120e5cf5-2
0.210
JAG-SYN-9c2cd0bd-7
0.209
JOH-UNI-c7afdb96-8
0.209
MAR-TRE-a9136c7b-57
0.208
MAR-TRE-799db12b-34
0.208
MAK-UNK-9159f8ed-7
0.208
RAL-MED-2de63afb-11
0.207
EMI-TUK-a58865cc-3
0.206
MAR-TRE-9d18ae8c-2
0.206
MAR-TRE-799db12b-4
0.206
MAK-UNK-6435e6c2-7
0.205
AAR-POS-0daf6b7e-31
0.205
JOH-UNI-c7afdb96-7
0.204
MAK-UNK-c8c8f7e2-28
0.204
MAK-UNK-c8c8f7e2-29
0.204
MAK-UNK-7a704a63-14
0.204
RAL-MED-2de63afb-6
0.204
MAR-TRE-2fd8122f-42
0.204
MAK-UNK-7a704a63-5
0.202
MAK-UNK-c8c8f7e2-10
0.202
MAK-UNK-7a704a63-19
0.202
MAK-UNK-c8c8f7e2-36
0.202
JAG-SYN-9c2cd0bd-14
0.202
MAK-UNK-7a704a63-15
0.202