Molecular Properties | |
SMILES: | CC1C(O)CCCN1C(C(=O)N1CCN(Cc2cccs2)CC1)c1ccccc1 |
MW: | 413.587 |
Fraction sp3: | 0.52 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 47.02 |
cLogP: | 2.9788 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-5
MAK-UNK-902cc841-1
0.457
MAK-UNK-6435e6c2-2
0.453
MAK-UNK-b1d4dcd7-4
0.443
MAK-UNK-b1d4dcd7-5
0.438
MAK-UNK-10dfa458-2
0.412
LON-WEI-8f408cad-5
0.412
AAR-POS-0daf6b7e-17
0.412
MAK-UNK-10dfa458-21
0.407
MAK-UNK-b1d4dcd7-1
0.358
MAK-UNK-b1d4dcd7-3
0.350
MAK-UNK-b1d4dcd7-10
0.346
MAK-UNK-b1d4dcd7-2
0.343
MAK-UNK-b1d4dcd7-11
0.343
SAD-SAT-1f400d17-8
0.333
IFT-SAT-023cfffe-4
0.324
MAK-UNK-b1d4dcd7-9
0.324
MAK-UNK-902cc841-2
0.307
MAK-UNK-b1d4dcd7-6
0.302
LON-WEI-f8a636e2-1
0.295
DAV-CRI-0207e898-1
0.292
WIL-LEE-23e8b574-5
0.286
GIA-UNK-20b63697-2
0.278
AAR-POS-0daf6b7e-26
0.276
MAK-UNK-6435e6c2-9
0.276
GIA-UNK-20b63697-6
0.274
ALP-POS-90c18d1d-1
0.274
MAR-TRE-0fda4e82-27
0.272
LON-WEI-b2874fec-26
0.270
MED-COV-4280ac29-25
0.267
GIA-UNK-20b63697-5
0.265
GIA-UNK-20b63697-9
0.265
MAR-TRE-6a44bbf2-92
0.264
JON-UIO-066ce08b-9
0.263
JON-UIO-066ce08b-11
0.263
SEL-UNI-cd366922-5
0.263
MAR-TRE-0fda4e82-25
0.261
MAK-UNK-c74072e5-1
0.257
GIA-UNK-7337c2f3-8
0.255
GIA-UNK-7337c2f3-9
0.255
JON-UIO-066ce08b-16
0.253
GIA-UNK-20b63697-3
0.253
GIA-UNK-20b63697-4
0.253
JOO-IND-6372a4f3-6
0.253
SAM-UNK-2684b532-10
0.250
GIA-UNK-7337c2f3-7
0.250
GIA-UNK-20b63697-8
0.250
MAR-TRE-0fda4e82-57
0.250
SIM-SYN-f15aaa3a-1
0.250
MAK-UNK-af83ef51-10
0.248
ANT-OPE-c0c3e7cc-1
0.245
MAR-TRE-2fd8122f-90
0.243
MED-COV-4280ac29-8
0.243
NAU-LAT-64f4b287-3
0.243
GIA-UNK-7337c2f3-12
0.242
MAK-UNK-7c9d1431-24
0.241
DRR-IMP-38dce17f-3
0.241
GIA-UNK-7337c2f3-1
0.240
SAD-SAT-1f400d17-1
0.239
MAT-POS-b5746674-116
0.239
JAR-KUA-41bd5a3d-2
0.238
MAK-UNK-3f402c2b-26
0.237
JOH-UNI-0e1753c1-1
0.237
SAD-SAT-2fd372d1-1
0.237
SAD-SAT-b55127ae-10
0.237
MAK-UNK-6ca90168-12
0.236
GIA-UNK-7337c2f3-14
0.236
SEL-UNI-8426c22c-4
0.235
MED-COV-dea4df70-1
0.235
GIA-UNK-7337c2f3-3
0.235
GIA-UNK-7337c2f3-6
0.235
TAT-ENA-80bfd3e5-20
0.235
GIA-UNK-4de5abb1-1
0.235
AAR-POS-d2a4d1df-41
0.235
SEL-UNI-cd366922-2
0.232
JON-UIO-066ce08b-15
0.232
MAR-TRE-0fda4e82-37
0.232
DOU-UNK-b5326f8f-8
0.231
MAR-TRE-f6f5f473-15
0.229
MAK-UNK-6ca90168-11
0.228
AAR-POS-0daf6b7e-2
0.228
WAR-XCH-b6889685-46
0.228
MAK-UNK-902cc841-9
0.227
MAK-UNK-6435e6c2-3
0.227
MAK-UNK-1bb0b7ee-13
0.227
AAR-POS-0daf6b7e-12
0.226
JOH-UNI-27ac80fd-23
0.226
JOH-UNI-27ac80fd-24
0.226
AHN-SAT-02ef6d10-6
0.226
STE-KUL-2e0d2e88-7
0.225
MAR-SOS-82e3a7c7-1
0.225
MAR-SOS-c7881798-2
0.225
GIA-UNK-7337c2f3-4
0.224
MAK-UNK-902cc841-15
0.224
MAK-UNK-e4a48a85-21
0.224
MAK-UNK-10dfa458-7
0.224
BEN-DND-6de5dfa0-2
0.224
BEN-DND-09b88bf4-1
0.224
MAK-UNK-7c9d1431-20
0.223
MAK-UNK-176ca439-2
0.223
GIA-UNK-7337c2f3-10
0.222