Molecular Properties | |
SMILES: | COc1ccc2c(c1)C(C(=O)Nc1cncnc1C)CCC2 |
MW: | 297.15 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3089566497 |
MolPort: | MolPort-047-559-811 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
AAR-POS-d2a4d1df-1
BAR-COM-0f94fc3d-43
0.562
BAR-COM-0f94fc3d-17
0.542
MIC-UNK-91acba05-4
0.396
ALP-POS-477dc5b7-1
0.396
PET-UNK-158bee2a-8
0.386
PET-UNK-158bee2a-6
0.356
HAN-NEW-5f56c3bc-1
0.346
BEN-DND-6de5dfa0-24
0.345
RAL-THA-5ed3c24e-1
0.333
ADA-UCB-6c2cb422-2
0.330
RAL-THA-05e671eb-8
0.327
ABI-SAT-4d06482b-2
0.318
ALP-POS-6f6ae286-7
0.318
EDG-MED-f9979214-2
0.318
RAL-THA-05e671eb-14
0.314
JAN-GHE-83b26c96-7
0.304
EDJ-MED-611d11e7-9
0.303
MAT-POS-96f51285-3
0.303
BAR-COM-0f94fc3d-35
0.302
MAT-POS-f9802937-7
0.299
ANT-OPE-7b52af4b-1
0.295
JUL-TUD-06b2044f-60
0.295
MAT-POS-ec6d90b7-6
0.294
EDJ-MED-611d11e7-8
0.294
MAT-POS-96f51285-6
0.294
MAR-TRE-92684b97-4
0.286
MAR-TRE-9d18ae8c-90
0.284
EDJ-MED-1b5395f9-1
0.283
EDJ-MED-1b5395f9-3
0.283
EDJ-MED-1b5395f9-2
0.283
AUS-ARG-7cfdce8f-3
0.282
JAG-UCB-a3ef7265-24
0.279
PET-UNK-2c6614b6-2
0.277
PET-UNK-2c6614b6-3
0.277
PET-UNK-b38839dc-16
0.272
PET-UNK-f4e47ebd-8
0.272
PET-UNK-f4e47ebd-7
0.272
MAR-TRE-92684b97-73
0.271
MIC-UNK-b904ca85-1
0.270
ALF-EVA-ced740bd-2
0.270
UNK-UNK-2ede4078-56
0.269
DAR-DIA-06c53477-4
0.269
DAR-DIA-06c53477-5
0.269
DAR-DIA-06c53477-6
0.269
PET-UNK-f4e47ebd-4
0.268
PET-UNK-f4e47ebd-3
0.268
ALF-EVA-a24cc7ce-3
0.267
PET-UNK-2c6614b6-4
0.266
PET-UNK-fe31e24a-5
0.265
BEN-DND-d1eb1f41-2
0.265
EDJ-MED-be9e6f63-1
0.264
PET-UNK-1e13ef09-4
0.263
PET-UNK-b38839dc-17
0.263
PET-UNK-1e13ef09-3
0.263
BEN-DND-0ac71396-2
0.263
PET-UNK-19e211a9-9
0.262
JOH-UNI-1b27fa5e-5
0.262
ALP-UNI-8d415491-2
0.262
MIC-UNK-b904ca85-4
0.261
RUB-POS-1325a9ea-10
0.261
ALP-POS-e6e0c683-3
0.261
PET-UNK-f4e47ebd-12
0.261
BEN-DND-34fc7f90-5
0.259
PET-UNK-b1ef24dc-13
0.259
PET-UNK-b38839dc-15
0.259
MIC-UNK-b904ca85-2
0.259
MIC-UNK-b904ca85-3
0.259
ERI-UCB-b3e6b0c2-16
0.259
PET-UNK-f4e47ebd-11
0.259
PET-UNK-e274cad4-9
0.257
RAL-THA-05e671eb-9
0.257
ALP-POS-f1807566-2
0.257
PET-UNK-fe31e24a-1
0.257
BEN-DND-f06bfa8e-8
0.257
ERI-UCB-b3e6b0c2-17
0.256
JUL-TUD-06b2044f-49
0.255
MAR-TRE-a9136c7b-9
0.255
BEN-DND-f06bfa8e-5
0.255
EDJ-MED-b7309adf-2
0.255
BEN-DND-c852c98b-10
0.255
EDJ-MED-c7fc9efa-2
0.255
BEN-DND-a7517465-8
0.255
MAT-POS-14f31916-1
0.255
MAT-POS-d8472c4f-6
0.255
BEN-DND-c852c98b-2
0.254
BEN-DND-c852c98b-9
0.254
JAG-UCB-c61058a9-46
0.254
BEN-DND-a7517465-9
0.254
KEI-TRE-d5e2018a-72
0.254
PET-UNK-b38839dc-4
0.254
MAR-TRE-4f781e27-18
0.253
BAR-COM-0f94fc3d-59
0.253
DAR-DIA-6a508060-6
0.252
BRU-CON-c4e3408a-1
0.252
JAN-GHE-f4ca5a00-13
0.252
MAT-POS-b3e365b9-3
0.252
MAT-POS-b3e365b9-4
0.252
RAL-THA-05e671eb-23
0.252
MAT-POS-78e1d523-1
0.252
MAT-POS-43fe65f4-1
0.252