Molecular Properties | |
SMILES: | COc1cccc(-n2cc(CN3CCN(C(C)=O)CC3)nn2)c1 |
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____11992382____12888810 |
ANT-STE-dbb91f63-2
0.794
JOH-UNK-14e6adc5-7
0.657
NIM-UNI-02269248-3
0.630
ANT-STE-dbb91f63-1
0.519
NIM-UNI-bb610069-3
0.494
NIM-UNI-594fbbb6-3
0.494
ANT-STE-dbb91f63-3
0.412
PAT-UNK-b2d83456-3
0.350
TOB-UNK-c2aba166-5
0.348
STE-KUL-2e0d2e88-7
0.345
JON-UNI-bb9dc649-11
0.342
JAN-GHE-1d98ec1c-5
0.337
PAT-UNK-b2d83456-1
0.333
MAK-UNK-ec98eaf6-57
0.330
MAK-UNK-6435e6c2-2
0.329
PAT-UNK-b2d83456-2
0.325
JAN-GHE-1d98ec1c-8
0.321
MAK-UNK-10799360-29
0.320
JON-UNI-bb9dc649-6
0.317
MAK-UNK-6435e6c2-3
0.315
JAN-GHE-1d98ec1c-2
0.313
WIL-LEE-23e8b574-3
0.313
HEI-REL-0c990a45-4
0.311
KIM-UNI-2ee5d8f9-1
0.303
ERI-UCB-a0b0dbcb-11
0.300
JON-UNI-bb9dc649-20
0.294
KIM-UNI-7d12df64-3
0.293
PEI-IMP-ca0b2813-3
0.291
BEN-VAN-c986b20b-16
0.289
MAR-UCB-f313ec4d-5
0.289
BEN-DND-7e92b6ca-12
0.289
WIL-LEE-23e8b574-2
0.287
WIL-LEE-23e8b574-4
0.287
JAN-GHE-1d98ec1c-1
0.287
KIM-UNI-7d12df64-2
0.287
BEN-DND-6de5dfa0-21
0.287
JAN-GHE-fd8d85a5-2
0.287
MAT-POS-b5746674-7
0.286
NAU-LAT-3f5f3993-4
0.284
KIM-UNI-7d12df64-1
0.282
JAN-GHE-fd8d85a5-10
0.282
JAN-GHE-1d98ec1c-3
0.281
JAN-GHE-fd8d85a5-8
0.281
BEN-VAN-c986b20b-5
0.280
BEN-VAN-c986b20b-4
0.280
DRR-IMP-38dce17f-5
0.278
JAN-GHE-fd8d85a5-1
0.276
BEN-VAN-c986b20b-2
0.275
BEN-VAN-c986b20b-3
0.275
BEN-VAN-c986b20b-10
0.275
BEN-VAN-c986b20b-17
0.275
BEN-DND-6de5dfa0-22
0.274
BEN-VAN-d8fd1356-21
0.273
JAN-GHE-1d98ec1c-6
0.273
BEN-VAN-c986b20b-15
0.272
DAR-DIA-fb20be43-7
0.272
BEN-VAN-c986b20b-1
0.272
JOH-UNI-0e1753c1-1
0.271
ANT-OPE-7824651a-1
0.270
JOH-UNI-23d9e1b1-1
0.268
BEN-DND-1e24cf73-6
0.268
BEN-DND-1e24cf73-7
0.268
BEN-DND-6de5dfa0-19
0.267
BEN-DND-6de5dfa0-25
0.267
JAN-GHE-fd8d85a5-9
0.267
BEN-VAN-d8fd1356-24
0.267
JAN-GHE-1d98ec1c-4
0.267
JAN-GHE-fd8d85a5-3
0.267
MAR-TRE-f5c2d31c-82
0.265
BEN-VAN-d8fd1356-20
0.264
PAT-UNK-b2d83456-4
0.263
JON-UNI-bb9dc649-16
0.263
HEI-REL-0c990a45-2
0.261
BEN-VAN-c986b20b-11
0.260
BEN-DND-6de5dfa0-26
0.259
VIT-UNK-2a0afa28-3
0.258
DAR-DIA-fb20be43-5
0.258
EDJ-MED-3c65e9ce-3
0.258
BEN-VAN-c986b20b-13
0.258
MAK-UNK-6435e6c2-6
0.256
AAR-POS-d2a4d1df-24
0.256
EDJ-MED-3c65e9ce-1
0.256
SAD-SAT-65574d3f-10
0.256
BEN-DND-93268d01-8
0.256
SAD-SAT-5b1897b2-5
0.256
JAN-GHE-1d98ec1c-9
0.256
JAN-GHE-1d98ec1c-7
0.256
LON-WEI-b8d98729-4
0.256
LUI-IND-2c46affe-3
0.255
GIA-UNK-4de5abb1-2
0.255
VIC-UNI-33d4332f-2
0.255
BEN-VAN-c986b20b-6
0.255
BEN-VAN-c986b20b-7
0.255
WIL-LEE-23e8b574-1
0.253
SAD-SAT-5b1897b2-2
0.253
JON-UNI-bb9dc649-13
0.253
EDJ-MED-3c65e9ce-2
0.253
MAK-UNK-af83ef51-10
0.253
JAN-GHE-fd8d85a5-12
0.253
MAR-TRE-f5c2d31c-15
0.253