Molecular Properties | |
SMILES: | CN(C)Cc1c[nH]c2c(C3=CC=CC3)cc(F)cc12 |
MW: | 256.324 |
Fraction sp3: | 0.25 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 19.03 |
cLogP: | 3.7119 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-32
0.529
DAR-DIA-eace69ff-30
0.413
DAR-DIA-eace69ff-34
0.324
DAR-DIA-eace69ff-22
0.321
DAR-DIA-eace69ff-24
0.310
DAR-DIA-eace69ff-31
0.309
DAR-DIA-eace69ff-29
0.305
DAR-DIA-eace69ff-25
0.305
DAR-DIA-eace69ff-21
0.301
DAR-DIA-eace69ff-23
0.301
DAR-DIA-eace69ff-18
0.298
DAR-DIA-eace69ff-27
0.298
BEN-VAN-d8fd1356-25
0.273
DAR-DIA-eace69ff-35
0.270
WIL-LEE-1f71e281-6
0.264
BEN-VAN-d8fd1356-27
0.261
MAK-UNK-be5ffcbc-2
0.250
MAK-UNK-be5ffcbc-5
0.247
GAB-REV-4a4e2ff3-5
0.245
SAM-UNK-903735bd-1
0.245
BEN-VAN-d8fd1356-21
0.244
SCO-VAN-260d9628-6
0.242
JOK-SYG-b7365cd7-1
0.242
MAK-UNK-be5ffcbc-6
0.239
MAK-UNK-be5ffcbc-9
0.238
BEN-VAN-d8fd1356-22
0.236
GAB-REV-4a4e2ff3-19
0.235
NIR-THE-0d6461ce-2
0.230
NIR-THE-0d6461ce-3
0.228
BEN-VAN-d8fd1356-15
0.226
SCO-VAN-260d9628-7
0.226
GAB-REV-4a4e2ff3-8
0.224
TAM-UNI-c140e31a-21
0.224
SCO-VAN-260d9628-8
0.223
GAB-REV-4a4e2ff3-14
0.223
MAK-UNK-be5ffcbc-4
0.221
TAM-UNI-c140e31a-22
0.220
SIM-DEM-265738e1-1
0.220
PET-SGC-f818f65b-1
0.220
TAM-UNI-c140e31a-15
0.220
SAM-UNK-903735bd-2
0.220
ELE-IMP-dfb36048-1
0.220
ASH-UNK-40b46b30-5
0.219
GAB-REV-4a4e2ff3-17
0.218
BEN-VAN-d8fd1356-11
0.218
BEN-VAN-d8fd1356-16
0.216
TAM-UNI-c140e31a-20
0.216
WAR-XCH-e55cba98-5
0.216
GAB-REV-4a4e2ff3-21
0.214
NAU-LAT-81109c57-5
0.214
MAK-UNK-ec98eaf6-33
0.214
GAB-REV-4a4e2ff3-15
0.214
TAM-UNI-c140e31a-2
0.212
BEN-VAN-d8fd1356-10
0.212
BEN-VAN-d8fd1356-14
0.211
DAR-DIA-fb20be43-11
0.210
STU-CHA-bc0a9883-1
0.210
NAU-LAT-f723e322-1
0.210
JOK-SYG-302da050-1
0.210
NAU-LAT-81109c57-6
0.210
MAK-UNK-10572812-12
0.209
NAU-LAT-f723e322-2
0.208
DAR-DIA-eace69ff-36
0.208
DAR-DIA-caba39e3-6
0.207
LON-WEI-af038623-6
0.206
NAU-LAT-81109c57-7
0.206
MAK-UNK-ec98eaf6-34
0.206
ABI-SAT-30e287c1-2
0.205
GAB-REV-4a4e2ff3-6
0.204
JOK-SYG-302da050-2
0.204
ASH-UNK-40b46b30-7
0.204
BEN-VAN-d8fd1356-8
0.202
GAB-REV-4a4e2ff3-3
0.202
WAR-XCH-e55cba98-3
0.202
GAB-REV-4a4e2ff3-4
0.202
FRA-DIA-8640f307-1
0.202
MAR-UCB-195bc32d-19
0.200
JOH-MSK-a63bdd1d-9
0.200
BEN-VAN-d8fd1356-7
0.200
GAB-REV-4a4e2ff3-16
0.200
WAR-XCH-e55cba98-2
0.200
NAU-LAT-81109c57-3
0.200
SAM-UNK-83e03154-1
0.200
GAB-REV-4a4e2ff3-7
0.198
DAR-DIA-eace69ff-15
0.198
PET-SGC-1c3a473d-1
0.198
MAR-TRE-fffca54f-95
0.198
MAK-UNK-be5ffcbc-1
0.198
BEN-VAN-d8fd1356-24
0.198
GAB-REV-4a4e2ff3-10
0.196
GAB-REV-4a4e2ff3-18
0.196
TAM-UNI-c140e31a-3
0.196
MAR-UCB-195bc32d-23
0.195
TOM-OIS-cbf37265-2
0.193
LON-WEI-b8d98729-34
0.193
ANT-OPE-47f3bb65-1
0.193
GAB-REV-4a4e2ff3-1
0.193
JOH-IMS-54aa76a2-7
0.192
ORN-MSD-5b974918-1
0.192
GAB-REV-4a4e2ff3-9
0.191