Molecular Properties | |
SMILES: | Cc1nnc2cncc(NC(=O)C3COc4ccc(Cl)c(Cl)c43)n12 |
MW: | 363.03 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 81.41 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JUL-TUD-06b2044f-87
0.527
EDJ-MED-d2def222-1
0.427
RAL-THA-f8a0f917-1
0.350
EDJ-MED-e4b030d8-10
0.330
RAL-THA-05e671eb-27
0.330
JUL-TUD-06b2044f-12
0.299
JOH-UNI-04a01eac-3
0.287
JUL-TUD-06b2044f-8
0.283
RAL-THA-f8a0f917-2
0.280
JOH-UNI-d0d90dc1-4
0.279
JAG-UCB-c61058a9-27
0.279
EDJ-MED-d2def222-2
0.278
JOH-UNI-d0d90dc1-1
0.278
JUL-TUD-06b2044f-103
0.274
JAG-UCB-c61058a9-1
0.274
JAG-UCB-47403a7c-1
0.274
EDJ-MED-e4b030d8-8
0.268
MAT-POS-51833a24-3
0.268
RAL-THA-05e671eb-29
0.268
JAG-UCB-c61058a9-28
0.267
MAT-POS-51833a24-5
0.265
JUL-TUD-06b2044f-10
0.264
ALF-EVA-a24cc7ce-4
0.261
RAL-THA-05e671eb-30
0.261
SID-ELM-2583a2cd-2
0.260
JOH-UNI-04a01eac-1
0.259
JAG-UCB-c61058a9-14
0.257
RAL-THA-3d7a794f-4
0.255
MAT-POS-51833a24-2
0.252
MAT-POS-51833a24-4
0.250
JAG-UCB-c61058a9-5
0.250
RAL-THA-05e671eb-31
0.248
JUL-TUD-06b2044f-41
0.246
RAL-THA-05e671eb-28
0.246
NAU-LAT-8502cac5-2
0.245
MIC-UNK-deda7a44-5
0.245
JAG-UCB-c61058a9-18
0.245
RAL-THA-3d7a794f-2
0.243
RAL-THA-3d7a794f-3
0.243
JUL-TUD-06b2044f-55
0.243
FRA-DIA-0fa076fe-1
0.243
FRA-DIA-c7e803f4-1
0.243
JUL-TUD-06b2044f-76
0.243
ALF-EVA-a24cc7ce-8
0.241
BEN-DND-02317c5c-2
0.239
EDG-MED-a20b5824-1
0.239
JAG-UCB-c61058a9-3
0.239
JAG-UCB-a3ef7265-7
0.238
JOH-UNI-1b27fa5e-5
0.237
JUL-TUD-06b2044f-7
0.237
JUL-TUD-06b2044f-93
0.237
RAL-THA-9041a04d-6
0.237
EDJ-MED-12c115cc-1
0.236
EDJ-MED-12c115cc-2
0.236
MAT-POS-bbbbc21a-2
0.236
MAT-POS-f7918075-2
0.236
RAL-THA-3d7a794f-1
0.236
JAG-UCB-c61058a9-22
0.236
MAT-POS-7ddaf7de-4
0.236
MAT-POS-afb6844f-1
0.236
PET-UNK-3e029fdc-1
0.236
MAT-POS-51833a24-6
0.235
RAL-THA-9041a04d-3
0.235
JAG-UCB-c61058a9-44
0.234
JAG-UCB-c61058a9-19
0.234
RAL-THA-9041a04d-4
0.233
MAT-POS-a54ce14d-1
0.233
MAR-UCB-6ab2ec87-5
0.232
BEN-DND-a02b439d-7
0.232
JAG-UCB-a3ef7265-3
0.231
BEN-DND-c852c98b-9
0.231
BEN-DND-a7517465-9
0.231
NAU-LAT-8502cac5-6
0.230
ALF-EVA-a24cc7ce-1
0.230
MIC-UNK-ea979c74-4
0.229
BEN-DND-02317c5c-3
0.228
DAR-DIA-5a24bef0-13
0.228
MAT-POS-afb6844f-3
0.228
PET-UNK-b1ef24dc-5
0.228
MAT-POS-51833a24-1
0.228
ERI-UCB-b3e6b0c2-7
0.228
ERI-UCB-b3e6b0c2-15
0.228
MAT-POS-b3e365b9-4
0.227
MAT-POS-b3e365b9-3
0.227
JAN-GHE-f4ca5a00-13
0.227
BRU-CON-c4e3408a-1
0.227
JAG-UCB-c61058a9-29
0.227
DAR-DIA-6a508060-6
0.227
MAR-UCB-fd2e172f-8
0.227
JUL-TUD-06b2044f-63
0.227
RAL-THA-05e671eb-5
0.226
RAL-THA-9041a04d-5
0.226
RAL-THA-04c5403f-1
0.226
ADA-UCB-dc2b944c-5
0.226
JAG-UCB-c61058a9-20
0.225
MAT-POS-8293a91a-1
0.225
MAT-POS-b5c94171-1
0.225
JUL-TUD-06b2044f-6
0.225
LON-WEI-0a73fcb8-4
0.224
ERI-UCB-b3e6b0c2-10
0.224