Molecular Properties | |
SMILES: | CN(C(=O)c1ccccn1)c1ccc2c(c1)OCO2 |
MW: | 256.08 |
Fraction sp3: | 0.14 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 51.66 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1518659131 |
Mcule: | MCULE-9166676890 |
MolPort: | MolPort-037-649-770 |
JON-UNI-93996c9d-1
0.530
JON-UNI-93996c9d-3
0.402
JOH-IMS-0f19a540-3
0.333
JOH-IMS-7e73aedd-9
0.333
JON-UNI-93996c9d-2
0.317
MAR-TRE-f5c2d31c-59
0.315
JOH-IMS-0f19a540-1
0.300
JOH-IMS-7e73aedd-7
0.300
JOH-IMS-0f19a540-7
0.299
MAR-TRE-d0525fbf-39
0.296
AAR-POS-d2a4d1df-31
0.293
JOH-UNI-e19b918c-4
0.289
ROD-LAS-d5538ff9-5
0.287
MAR-TRE-fd17a9b8-44
0.284
MAR-TRE-04c86cea-61
0.284
JOH-IMS-7e73aedd-2
0.284
MAR-TRE-e86a56b5-54
0.282
MAR-TRE-d0525fbf-57
0.282
MAR-TRE-d0525fbf-19
0.281
MAR-TRE-fd17a9b8-13
0.280
MAR-TRE-04c86cea-98
0.280
MAR-TRE-04c86cea-37
0.280
MAR-TRE-b77b7921-94
0.280
AAR-POS-0daf6b7e-43
0.276
SAD-SAT-2ceae68f-8
0.275
MAK-UNK-7c9d1431-14
0.275
MAR-TRE-d0525fbf-40
0.275
MAR-TRE-b77b7921-56
0.275
MAR-TRE-2fd8122f-71
0.273
MAR-TRE-d0525fbf-52
0.273
MAR-TRE-d0525fbf-13
0.272
JOH-IMS-0f19a540-13
0.272
JOH-IMS-0f19a540-10
0.271
JOH-UNI-e19b918c-9
0.270
ROD-LAS-d5538ff9-6
0.269
MAR-TRE-b77b7921-38
0.268
MAR-TRE-0fda4e82-9
0.267
MAR-TRE-b77b7921-64
0.267
MAR-TRE-b77b7921-14
0.265
JOH-IMS-0f19a540-12
0.265
MAR-TRE-b77b7921-37
0.265
MAR-TRE-a9136c7b-62
0.264
JOH-IMS-7e73aedd-8
0.263
JOH-IMS-0f19a540-2
0.263
MAR-TRE-8a25d817-17
0.262
PET-UNK-48ab5cd7-3
0.262
LON-WEI-4d77710c-10
0.260
LON-WEI-5e7d1b3e-10
0.260
JOH-UNI-e19b918c-8
0.260
MAR-TRE-d0525fbf-80
0.260
MAR-TRE-f6f5f473-13
0.260
CHR-UNL-7577488f-1
0.259
MAR-TRE-aca67d11-9
0.259
MAR-TRE-04c86cea-28
0.259
MAR-TRE-8190bb11-17
0.258
MAR-TRE-36bf7dba-42
0.258
JAR-KUA-8c13982c-4
0.258
LON-WEI-adc59df6-43
0.257
MAR-TRE-3e4e6814-38
0.257
BRU-UNI-418e22dc-10
0.256
LON-WEI-ff7b210a-1
0.255
MAR-TRE-92684b97-22
0.255
MAR-TRE-b77b7921-79
0.255
MAR-TRE-b77b7921-12
0.255
MAR-TRE-fd17a9b8-77
0.253
MAR-TRE-fd17a9b8-7
0.253
NJA-MAN-b9fb953f-2
0.253
MAR-TRE-e86a56b5-72
0.253
MAR-TRE-7f7bb9f0-28
0.250
MAR-TRE-f6f5f473-32
0.250
MAR-TRE-6a44bbf2-60
0.250
AAR-POS-0daf6b7e-37
0.250
MAR-TRE-9d18ae8c-66
0.247
MAT-POS-a3f7f96a-2
0.247
MAR-TRE-4f781e27-53
0.247
ARI-TAT-5792557e-1
0.246
MAR-TRE-a9136c7b-71
0.244
JON-UNI-93996c9d-10
0.244
JOH-IMS-0f19a540-14
0.244
MAR-LAB-ca4662a6-10
0.244
MAR-TRE-6c5ef77a-13
0.244
MAR-TRE-d3c2bf0e-27
0.244
MAR-TRE-dab8f6ea-22
0.243
LON-WEI-5e7d1b3e-55
0.243
LON-WEI-4d77710c-55
0.243
JAR-KUA-8c13982c-12
0.242
MAR-TRE-a3327163-38
0.242
BRU-UNI-248b30bc-44
0.241
MAR-TRE-74c6519b-22
0.241
MAR-TRE-e86a56b5-44
0.240
LON-WEI-8f408cad-11
0.239
LON-WEI-b8d98729-3
0.239
JOH-UNI-e19b918c-11
0.236
MAR-TRE-fd17a9b8-38
0.235
YUN-WES-85ecc354-1
0.235
YUN-WES-58b0dbae-6
0.235
JOH-IMS-0f19a540-8
0.235
MAR-TRE-e86a56b5-4
0.235
MAR-TRE-e86a56b5-96
0.232
MAR-TRE-14ce9fd6-87
0.232