Molecular Properties | |
SMILES: | C=Cc1ncc(C)c(CCNC(=O)CN2CCOCC2)c1NC(=O)N(Cc1ncnc(OC)n1)c1cc(C)ccn1 |
MW: | 561.647 |
Fraction sp3: | 0.39 |
HBA: | 10 |
HBD: | 2 |
Rotatable Bonds: | 11 |
TPSA: | 147.59 |
cLogP: | 2.15964 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AGN-NEW-9d245c51-4
0.862
AGN-NEW-9d245c51-3
0.754
AGN-NEW-051944a9-2
0.661
AGN-NEW-9d245c51-2
0.588
AGN-NEW-9d245c51-1
0.586
AGN-NEW-051944a9-1
0.573
AGN-NEW-051944a9-4
0.496
AGN-NEW-051944a9-3
0.426
AGN-NEW-5f02c22c-1
0.418
AGN-NEW-c197b967-2
0.272
MAK-UNK-be5ffcbc-7
0.272
AGN-NEW-c197b967-1
0.266
BEN-DND-93268d01-10
0.266
MAR-TRE-3e4e6814-25
0.262
AGN-NEW-fad6815c-1
0.261
AGN-NEW-817c14da-3
0.261
MAR-TRE-f5c2d31c-52
0.261
JOR-UNI-61e7b1d5-17
0.258
JOR-UNI-61e7b1d5-4
0.257
MAR-TRE-f5c2d31c-35
0.247
MAT-POS-b5746674-64
0.246
MAR-TRE-f5c2d31c-18
0.241
JOR-UNI-61e7b1d5-11
0.239
MAR-TRE-d0525fbf-99
0.238
MAR-TRE-7f7bb9f0-71
0.236
AGN-NEW-817c14da-1
0.233
AGN-NEW-fad6815c-2
0.233
MAR-TRE-f5c2d31c-96
0.232
MAR-TRE-67513f76-15
0.230
JOR-UNI-61e7b1d5-16
0.230
MAR-TRE-f5c2d31c-99
0.228
JOR-UNI-2fc98d0b-6
0.228
JOR-UNI-61e7b1d5-13
0.225
MAR-TRE-f5c2d31c-42
0.224
JOR-UNI-61e7b1d5-3
0.224
MAR-TRE-fd17a9b8-49
0.223
MAR-TRE-f5c2d31c-70
0.223
JOR-UNI-2fc98d0b-1
0.222
MAR-TRE-3e4e6814-16
0.222
MAR-TRE-67513f76-19
0.221
MAR-TRE-f5c2d31c-63
0.220
MAR-TRE-f5c2d31c-83
0.220
MAR-TRE-f5c2d31c-85
0.219
MAR-TRE-4b834d9a-68
0.217
MAR-LAB-ca4662a6-5
0.217
BAR-COM-0f94fc3d-33
0.217
MAR-TRE-2fd8122f-35
0.216
MAR-TRE-9c797165-29
0.216
MAR-TRE-3e4e6814-2
0.216
ALP-POS-95f71980-19
0.215
MAR-TRE-3e4e6814-21
0.215
LON-WEI-adc59df6-25
0.214
MAR-TRE-f5c2d31c-81
0.214
MAK-UNK-748f8b7a-11
0.213
JOR-UNI-61e7b1d5-27
0.213
MAR-TRE-f5c2d31c-68
0.213
ALP-POS-780445ae-1
0.212
MAR-TRE-a9136c7b-11
0.212
MAR-TRE-c8530538-2
0.212
MAR-TRE-c317dd82-81
0.212
JOR-UNI-61e7b1d5-10
0.212
SAD-SAT-7d5528d9-1
0.211
MAR-TRE-f5c2d31c-29
0.211
SAD-SAT-f0a2747f-5
0.211
MAR-TRE-7f7bb9f0-3
0.211
ALP-POS-a3de0cb1-11
0.210
ALP-POS-02c6a514-55
0.210
SAD-SAT-f0a2747f-7
0.210
SAD-SAT-7d5528d9-2
0.210
MAR-TRE-f5c2d31c-74
0.209
MAR-TRE-fd17a9b8-36
0.209
DAR-DIA-fb20be43-18
0.209
MAR-TRE-c317dd82-10
0.209
JOR-UNI-2fc98d0b-9
0.209
KEI-TRE-d5e2018a-13
0.208
MAR-TRE-f5c2d31c-20
0.208
MAR-TRE-3e4e6814-72
0.208
JOR-UNI-61e7b1d5-15
0.208
MAR-TRE-b77b7921-48
0.208
MAR-TRE-c317dd82-69
0.207
MAR-TRE-c317dd82-23
0.207
MAR-TRE-fd17a9b8-85
0.207
ALP-POS-305f6ec3-58
0.207
MAR-TRE-d0525fbf-79
0.207
MAR-TRE-04c86cea-33
0.206
MAK-UNK-be5ffcbc-1
0.206
SAD-SAT-7d5528d9-8
0.206
MAR-TRE-f5c2d31c-38
0.205
MAR-TRE-3159af1a-82
0.205
DAR-DIA-6a49afbe-5
0.205
JOR-UNI-61e7b1d5-23
0.205
MAR-TRE-3159af1a-88
0.204
BAR-COM-0f94fc3d-39
0.203
DAR-DIA-03336633-10
0.203
SIM-DEM-2843056b-1
0.203
MAR-TRE-74c6519b-45
0.203
EDG-MED-4c68219f-4
0.202
EDJ-MED-dfa1d800-2
0.202
MAR-TRE-9c797165-3
0.201
SAD-SAT-7d5528d9-3
0.201