Molecular Properties | |
SMILES: | COc1ccc(-n2cc(CN3CCN(C(C)=O)CC3)nn2)cc1 |
MW: | 315.377 |
Fraction sp3: | 0.44 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 63.49 |
cLogP: | 0.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine Extended REAL: | s_273910____11993380____12888810 |
ANT-STE-dbb91f63-1
0.778
JOH-UNK-14e6adc5-8
0.657
NIM-UNI-02269248-3
0.520
ANT-STE-dbb91f63-2
0.519
MAK-UNK-ec98eaf6-57
0.500
ANT-STE-dbb91f63-3
0.420
NIM-UNI-594fbbb6-3
0.400
NIM-UNI-bb610069-3
0.400
STE-KUL-2e0d2e88-7
0.350
JAN-GHE-1d98ec1c-5
0.341
MAK-UNK-6435e6c2-3
0.338
AAR-POS-0daf6b7e-18
0.338
TOB-UNK-c2aba166-5
0.337
MAK-UNK-6435e6c2-2
0.333
HEI-REL-0c990a45-4
0.329
WIL-LEE-23e8b574-2
0.324
BEN-VAN-c986b20b-16
0.321
PAT-UNK-b2d83456-2
0.312
WIL-LEE-23e8b574-4
0.307
BEN-VAN-c986b20b-17
0.306
KIM-UNI-2ee5d8f9-1
0.306
PAT-UNK-b2d83456-3
0.304
PAT-UNK-b2d83456-1
0.303
JAN-GHE-1d98ec1c-3
0.298
KIM-UNI-7d12df64-3
0.295
JAN-GHE-1d98ec1c-8
0.293
BEN-DND-6de5dfa0-22
0.291
BEN-VAN-c986b20b-10
0.291
BEN-DND-6de5dfa0-21
0.289
JAN-GHE-1d98ec1c-1
0.289
ANT-OPE-7824651a-1
0.286
NAU-LAT-3f5f3993-4
0.286
SAD-SAT-5b1897b2-2
0.286
WIL-LEE-23e8b574-3
0.284
KIM-UNI-7d12df64-1
0.284
JAN-GHE-1d98ec1c-2
0.284
JAN-GHE-fd8d85a5-10
0.284
MAK-UNK-7c9d1431-17
0.282
BEN-VAN-c986b20b-4
0.281
BEN-VAN-c986b20b-5
0.281
DRR-IMP-38dce17f-5
0.280
MAK-UNK-3f402c2b-27
0.278
JAN-GHE-fd8d85a5-1
0.277
BEN-VAN-c986b20b-2
0.276
BEN-VAN-c986b20b-3
0.276
JAN-GHE-fd8d85a5-2
0.275
KIM-UNI-7d12df64-2
0.274
BEN-VAN-d8fd1356-21
0.274
BEN-VAN-c986b20b-15
0.273
DAR-DIA-fb20be43-7
0.273
BEN-VAN-c986b20b-1
0.273
VIC-UNI-33d4332f-2
0.270
BEN-DND-6de5dfa0-19
0.268
JAN-GHE-1d98ec1c-4
0.267
JAN-GHE-fd8d85a5-8
0.267
JAN-GHE-fd8d85a5-9
0.267
JAN-GHE-fd8d85a5-3
0.267
BEN-VAN-d8fd1356-24
0.267
JAN-GHE-fd8d85a5-12
0.266
ISA-SCH-8e98219b-2
0.266
MAR-TRE-6a44bbf2-77
0.266
BEN-VAN-d8fd1356-20
0.264
MIH-UNI-6b9ca91a-9
0.264
JON-UNI-bb9dc649-11
0.263
SAD-SAT-f0a2747f-6
0.262
BEN-VAN-c986b20b-11
0.260
MAR-LAB-ca4662a6-2
0.260
BEN-DND-6de5dfa0-26
0.259
WAR-XCH-72a8c209-3
0.258
DAR-DIA-fb20be43-5
0.258
BEN-VAN-c986b20b-13
0.258
MAT-POS-b5746674-56
0.256
SAD-SAT-b55127ae-10
0.256
EDJ-MED-3c65e9ce-1
0.256
BEN-DND-93268d01-8
0.256
SAD-SAT-5b1897b2-5
0.256
SAD-SAT-65574d3f-10
0.256
ISA-SCH-8e98219b-3
0.256
JON-UIO-066ce08b-9
0.256
JAN-GHE-fd8d85a5-6
0.256
MAR-TRE-c8530538-9
0.255
BEN-VAN-c986b20b-6
0.255
BEN-VAN-c986b20b-7
0.255
VIC-UNI-33d4332f-1
0.255
BEN-DND-7e92b6ca-11
0.255
KRI-MAR-d2e3ef86-13
0.255
BEN-DND-6de5dfa0-25
0.253
ALP-POS-6747fa38-1
0.253
NAU-LAT-a5c7d7cb-1
0.253
BEN-DND-6de5dfa0-11
0.253
VLA-UCB-05e51b3f-1
0.253
NIR-THE-d08c3b48-1
0.253
EDJ-MED-3c65e9ce-2
0.253
JUL-TUD-06b2044f-74
0.252
WIL-LEE-23e8b574-7
0.250
BEN-DND-6de5dfa0-17
0.250
DRA-CSI-47e38074-13
0.250
JON-UIO-066ce08b-3
0.250
NIM-UNI-13494739-8
0.250
PAT-UNK-b2d83456-4
0.250