Molecular Properties | |
SMILES: | CCc1cc(OC2CCCCCC2)c2[nH]cc(CN(C)C)c2c1 |
MW: | 314.473 |
Fraction sp3: | 0.6 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 28.26 |
cLogP: | 4.8935 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-27
0.965
DAR-DIA-eace69ff-24
0.507
DAR-DIA-eace69ff-19
0.487
DAR-DIA-eace69ff-29
0.486
DAR-DIA-eace69ff-16
0.481
DAR-DIA-eace69ff-25
0.447
DAR-DIA-eace69ff-34
0.443
DAR-DIA-eace69ff-13
0.419
DAR-DIA-eace69ff-9
0.416
DAR-DIA-eace69ff-1
0.400
DAR-DIA-eace69ff-14
0.400
DAR-DIA-eace69ff-4
0.396
DAR-DIA-eace69ff-11
0.383
DAR-DIA-eace69ff-15
0.383
BEN-VAN-d8fd1356-25
0.369
DAR-DIA-eace69ff-22
0.358
DAR-DIA-eace69ff-23
0.354
DAR-DIA-eace69ff-30
0.346
DAR-DIA-eace69ff-21
0.337
BEN-VAN-d8fd1356-27
0.337
DAR-DIA-eace69ff-31
0.329
DAR-DIA-eace69ff-8
0.309
DAR-DIA-eace69ff-3
0.300
DAR-DIA-eace69ff-33
0.298
DAR-DIA-eace69ff-7
0.293
DAR-DIA-eace69ff-32
0.289
BEN-VAN-d8fd1356-26
0.286
DAR-DIA-eace69ff-2
0.282
DAR-DIA-eace69ff-17
0.280
DAR-DIA-eace69ff-35
0.276
DAR-DIA-eace69ff-28
0.264
DAR-DIA-eace69ff-5
0.263
DAR-DIA-eace69ff-10
0.260
DAR-DIA-eace69ff-6
0.250
BEN-VAN-d8fd1356-15
0.245
BEN-VAN-d8fd1356-16
0.222
DAR-DIA-eace69ff-12
0.220
ROM-UNK-ef52a3c9-3
0.220
BEN-VAN-d8fd1356-8
0.219
BAR-COM-4e090d3a-65
0.216
BEN-VAN-d8fd1356-28
0.214
BEN-VAN-d8fd1356-11
0.212
BEN-VAN-d8fd1356-7
0.206
DAR-DIA-eace69ff-20
0.204
MAR-TRE-fffca54f-95
0.204
DAR-DIA-eace69ff-26
0.202
GAB-REV-4a4e2ff3-17
0.202
TIM-UNK-bbdeee69-1
0.200
NIR-THE-0d6461ce-3
0.198
BAR-COM-4e090d3a-26
0.198
BEN-VAN-d8fd1356-29
0.198
GAB-REV-4a4e2ff3-9
0.196
BEN-VAN-d8fd1356-21
0.196
BEN-VAN-d8fd1356-10
0.194
MAK-UNK-be5ffcbc-5
0.192
ROM-UNK-ef52a3c9-4
0.192
BEN-VAN-d8fd1356-14
0.192
NIC-UNI-f08e2453-2
0.191
BEN-VAN-d8fd1356-4
0.190
WAR-XCH-e55cba98-5
0.190
BEN-VAN-d8fd1356-20
0.189
BEN-VAN-d8fd1356-22
0.189
ANT-OPE-47f3bb65-2
0.189
MAR-UCB-195bc32d-23
0.188
TOM-OIS-cbf37265-2
0.187
ANT-OPE-47f3bb65-3
0.187
LON-WEI-b8d98729-34
0.187
ANT-OPE-47f3bb65-1
0.187
MAR-TRE-3159af1a-37
0.186
SCO-VAN-260d9628-6
0.186
GAB-REV-4a4e2ff3-2
0.186
TOM-OIS-cbf37265-1
0.185
NAU-LAT-81109c57-5
0.184
BEN-VAN-d8fd1356-23
0.184
GAB-REV-4a4e2ff3-8
0.183
ANT-OPE-47f3bb65-4
0.182
TOM-OIS-cbf37265-3
0.180
ANT-OPE-47f3bb65-5
0.180
MAK-UNK-ec98eaf6-34
0.179
MAR-UCB-195bc32d-19
0.179
JOH-MSK-a63bdd1d-9
0.179
NAU-LAT-81109c57-2
0.178
MAK-UNK-230cdef2-7
0.178
WIL-LEE-1f71e281-6
0.177
SAM-UNK-903735bd-1
0.176
BAR-COM-4e090d3a-34
0.176
MAR-UCB-195bc32d-5
0.174
FRA-LAB-04e32718-1
0.173
TAM-UNI-c140e31a-16
0.173
NAU-LAT-81109c57-4
0.173
JOH-MSK-a63bdd1d-10
0.173
GAB-REV-4a4e2ff3-19
0.173
JAN-GHE-6413aaf8-6
0.172
JOK-SYG-b7365cd7-1
0.172
MAR-TRE-3159af1a-84
0.171
JOK-SYG-b9f02a42-3
0.171
DAR-DIA-03336633-12
0.171
DAR-DIA-eace69ff-37
0.171
WAR-XCH-b6889685-55
0.170
MAR-TRE-74c6519b-57
0.170