Molecular Properties | |
SMILES: | COc1cc(NC(=O)CCl)cc(OC)c1OC |
MW: | 259.06 |
Fraction sp3: | 0.36 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 56.79 |
cLogP: | 1.89 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4297762533 |
MolPort: | MolPort-002-465-777 |
ANT-LOU-17aa1493-2
0.600
ANT-LOU-17aa1493-3
0.510
LON-WEI-120e5cf5-3
0.475
MAK-UNK-90d0606b-2
0.438
SAD-SAT-6b5a89f0-10
0.391
SAD-SAT-6b5a89f0-8
0.378
MAR-TRE-3e4e6814-50
0.359
MAR-TRE-6a44bbf2-42
0.358
MAR-TRE-4b834d9a-78
0.354
MAR-TRE-3e4e6814-39
0.354
MAR-TRE-aca67d11-39
0.344
MAK-UNK-ca11b4f7-1
0.333
MAR-TRE-6a44bbf2-93
0.328
MAK-UNK-72659d64-3
0.327
MAR-TRE-6a44bbf2-74
0.316
YOI-UNK-4c10088f-1
0.315
MAR-TRE-6a44bbf2-76
0.312
AAR-POS-0daf6b7e-4
0.312
MAR-TRE-6a44bbf2-84
0.306
MAR-TRE-6a44bbf2-17
0.305
MAK-UNK-f983951f-11
0.302
MAK-UNK-987948f6-6
0.296
SAD-SAT-6b5a89f0-1
0.294
MAR-TRE-6a44bbf2-90
0.293
AHN-SAT-de2502ba-6
0.292
MAR-TRE-6a44bbf2-43
0.292
IND-SYN-6c8299e8-8
0.292
MAR-TRE-6a44bbf2-95
0.292
SWA-SYN-d2e6fa14-10
0.292
SWA-SYN-6423ea73-9
0.292
MAT-POS-fa06b69f-5
0.292
TAT-ENA-80bfd3e5-36
0.292
MAK-UNK-987948f6-7
0.290
AHN-SAT-de2502ba-5
0.284
MAK-UNK-72659d64-10
0.283
MAR-TRE-6a44bbf2-100
0.279
AHN-SAT-de2502ba-4
0.279
MAR-TRE-6a44bbf2-89
0.279
MAR-TRE-e86a56b5-85
0.278
MAR-TRE-6a44bbf2-35
0.277
MAK-UNK-7a704a63-10
0.277
LON-WEI-8f408cad-1
0.277
AAR-POS-0daf6b7e-11
0.277
AHN-SAT-de2502ba-13
0.275
MAR-TRE-6a44bbf2-83
0.275
IND-SYN-6c8299e8-9
0.275
MAR-TRE-6a44bbf2-55
0.274
MAR-TRE-4f39ef4a-60
0.271
MAR-TRE-6a44bbf2-16
0.271
MAR-TRE-be9ff7d2-3
0.269
MAK-UNK-6ca90168-26
0.268
MAR-TRE-6a44bbf2-85
0.267
AAR-POS-d2a4d1df-38
0.265
MAK-UNK-f983951f-20
0.264
MAR-TRE-6a44bbf2-60
0.262
MAR-TRE-6a44bbf2-10
0.260
KEI-TRE-d5e2018a-54
0.260
MAK-UNK-72659d64-1
0.259
MAR-TRE-6a44bbf2-45
0.257
MAK-UNK-7c9d1431-30
0.257
MED-COV-4280ac29-10
0.257
MAR-TRE-ebcc4ad6-26
0.255
DAV-CRI-3edb475e-2
0.254
MAR-TRE-6a44bbf2-51
0.254
JIN-POS-6dc588a4-3
0.254
PET-UNK-b38839dc-2
0.253
MAR-TRE-a78003aa-87
0.250
JIN-POS-6dc588a4-18
0.250
DAV-CRI-3edb475e-1
0.250
RAF-SAT-b3ff87a1-4
0.250
MIC-UNK-50cce87d-4
0.250
RUB-POS-1325a9ea-9
0.250
WAR-XCH-bdd24732-24
0.250
MAR-TRE-74c6519b-46
0.250
AAR-POS-0daf6b7e-20
0.250
KEI-TRE-d5e2018a-31
0.247
KEI-TRE-d5e2018a-59
0.247
MAR-TRE-4b834d9a-79
0.247
MAT-POS-c20a539d-2
0.247
MAR-TRE-3e4e6814-87
0.246
JOH-MSK-a63bdd1d-1
0.246
DAV-CRI-3edb475e-3
0.246
MAK-UNK-f983951f-26
0.246
MAR-TRE-3159af1a-33
0.243
MAR-TRE-6a44bbf2-19
0.243
JOH-MEM-5e386bbd-8
0.243
MAK-UNK-72659d64-12
0.241
MAR-TRE-6a44bbf2-59
0.241
MAR-TRE-6a44bbf2-82
0.239
MAK-UNK-7a704a63-22
0.239
MAR-TRE-aca67d11-1
0.239
MAR-TRE-fd17a9b8-94
0.239
AHN-SAT-de2502ba-19
0.239
KEI-TRE-d5e2018a-87
0.238
MAR-TRE-a3327163-40
0.238
MAK-UNK-1e8f9e3c-6
0.237
MAT-POS-06036648-9
0.237
MAK-UNK-f983951f-22
0.237
MAR-TRE-e86a56b5-45
0.237
EDJ-MED-c8e7a002-2
0.237