Molecular Properties | |
SMILES: | CCCc1cc(CC)cc2c(CN(C)C)c[nH]c12 |
MW: | 244.382 |
Fraction sp3: | 0.5 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 19.03 |
cLogP: | 3.7444 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-29
0.571
DAR-DIA-eace69ff-25
0.456
DAR-DIA-eace69ff-18
0.443
DAR-DIA-eace69ff-27
0.443
DAR-DIA-eace69ff-24
0.437
DAR-DIA-eace69ff-22
0.356
DAR-DIA-eace69ff-23
0.351
DAR-DIA-eace69ff-32
0.333
DAR-DIA-eace69ff-31
0.324
DAR-DIA-eace69ff-33
0.324
DAR-DIA-eace69ff-30
0.324
DAR-DIA-eace69ff-21
0.316
DAR-DIA-eace69ff-35
0.303
ROB-UNI-b2e39629-2
0.278
BEN-VAN-d8fd1356-27
0.271
WIL-LEE-1f71e281-6
0.259
SIM-DEM-265738e1-1
0.256
TAM-UNI-c140e31a-15
0.256
PET-SGC-f818f65b-1
0.256
SAM-UNK-903735bd-2
0.256
ELE-IMP-dfb36048-1
0.256
DAR-DIA-eace69ff-19
0.244
HAN-NEW-5f56c3bc-2
0.244
BEN-DND-362d364a-8
0.241
ROB-UNI-b2e39629-4
0.241
BEN-VAN-d8fd1356-25
0.238
DAR-DIA-eace69ff-28
0.237
DAR-DIA-eace69ff-16
0.233
DAR-DIA-eace69ff-20
0.232
ANT-OPE-47f3bb65-2
0.231
DAR-DIA-eace69ff-17
0.227
BEN-VAN-d8fd1356-21
0.222
DAR-DIA-eace69ff-12
0.220
DAR-DIA-eace69ff-13
0.220
ROB-UNI-b2e39629-6
0.220
BEN-VAN-d8fd1356-2
0.218
JOH-MSK-a63bdd1d-10
0.217
MAK-UNK-be5ffcbc-2
0.216
BEN-VAN-d8fd1356-22
0.214
MAK-UNK-be5ffcbc-4
0.213
DAR-DIA-eace69ff-5
0.213
ANT-OPE-47f3bb65-1
0.212
LON-WEI-b8d98729-34
0.212
ANT-OPE-47f3bb65-3
0.212
TOM-OIS-cbf37265-2
0.212
ROB-UNI-b2e39629-7
0.212
SAM-UNK-903735bd-1
0.211
DAR-DIA-eace69ff-10
0.211
DAR-DIA-eace69ff-1
0.211
DAR-DIA-eace69ff-9
0.211
DAR-DIA-eace69ff-14
0.211
NIR-THE-0d6461ce-2
0.211
BEN-VAN-d8fd1356-16
0.209
DAR-DIA-eace69ff-4
0.208
JOK-SYG-b9f02a42-1
0.208
ORN-MSD-5b974918-1
0.208
JPB-FNM-6f110b99-1
0.208
ROM-UNK-ef52a3c9-3
0.207
DAR-DIA-eace69ff-7
0.206
JOH-MSK-a63bdd1d-9
0.205
MAR-UCB-195bc32d-19
0.205
ANT-OPE-47f3bb65-5
0.205
GAB-REV-4a4e2ff3-8
0.204
JOK-SYG-b9f02a42-2
0.204
BEN-VAN-d8fd1356-10
0.204
MAR-TRE-fffca54f-95
0.202
ROM-UNK-ef52a3c9-4
0.202
JOK-SYG-b9f02a42-3
0.202
DAR-DIA-eace69ff-6
0.202
DAR-DIA-eace69ff-11
0.202
DAR-DIA-eace69ff-15
0.202
ELE-IMP-dfb36048-5
0.200
MAR-UCB-195bc32d-23
0.200
BEN-VAN-d8fd1356-4
0.200
DAR-DIA-eace69ff-2
0.198
ASH-UNK-40b46b30-5
0.198
SCO-VAN-260d9628-6
0.196
MAK-UNK-ec98eaf6-33
0.194
JOK-SYG-b7365cd7-1
0.193
ANT-OPE-47f3bb65-4
0.192
TAM-UNI-c140e31a-2
0.191
SCO-VAN-260d9628-7
0.191
JOK-SYG-302da050-1
0.189
DAR-DIA-fb20be43-11
0.189
MAK-UNK-be5ffcbc-5
0.189
NAU-LAT-f723e322-1
0.189
STU-CHA-bc0a9883-1
0.189
BEN-VAN-d8fd1356-14
0.189
SCO-VAN-260d9628-8
0.189
ANT-OPE-ab37bd51-2
0.188
DUN-NEW-f8ce3686-21
0.188
NAU-LAT-f723e322-2
0.188
NAU-LAT-81109c57-7
0.186
MAK-UNK-be5ffcbc-9
0.185
DUN-NEW-f8ce3686-11
0.185
BEN-VAN-d8fd1356-3
0.185
GAB-REV-4a4e2ff3-1
0.184
JAN-GHE-6413aaf8-8
0.184
GAB-REV-4a4e2ff3-15
0.182
GAB-REV-4a4e2ff3-3
0.182