Molecular Properties | |
SMILES: | CN(C)Cc1c[nH]c2c(-c3ccccc3)cc(F)cc12 |
MW: | 268.335 |
Fraction sp3: | 0.18 |
HBA: | 1 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 19.03 |
cLogP: | 4.0356 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-2
DAR-DIA-eace69ff-33
0.529
DAR-DIA-eace69ff-30
0.405
GAB-REV-4a4e2ff3-5
0.359
DAR-DIA-eace69ff-34
0.333
NAU-LAT-81109c57-5
0.315
DAR-DIA-eace69ff-22
0.312
DAR-DIA-eace69ff-29
0.312
DAR-DIA-eace69ff-21
0.309
DAR-DIA-eace69ff-24
0.301
DAR-DIA-eace69ff-31
0.300
DAR-DIA-eace69ff-25
0.296
DAR-DIA-eace69ff-35
0.296
DAR-DIA-eace69ff-23
0.293
DAR-DIA-eace69ff-18
0.289
DAR-DIA-eace69ff-27
0.289
WIL-LEE-1f71e281-6
0.286
NAU-LAT-81109c57-3
0.283
BEN-VAN-d8fd1356-25
0.279
MAK-UNK-be5ffcbc-9
0.275
BEN-VAN-d8fd1356-27
0.267
GAB-REV-4a4e2ff3-21
0.258
TAM-UNI-c140e31a-2
0.255
GAB-REV-4a4e2ff3-3
0.255
GAB-REV-4a4e2ff3-1
0.255
MAK-UNK-be5ffcbc-5
0.253
GAB-REV-4a4e2ff3-13
0.253
BEN-VAN-d8fd1356-21
0.250
ASH-UNK-40b46b30-5
0.250
NIR-THE-0d6461ce-2
0.247
BEN-VAN-d8fd1356-11
0.247
TAM-UNI-c140e31a-20
0.247
JOK-SYG-b7365cd7-1
0.247
GAB-REV-4a4e2ff3-17
0.245
ASH-UNK-40b46b30-7
0.245
SCO-VAN-260d9628-7
0.244
NAU-LAT-81109c57-1
0.244
GAB-REV-4a4e2ff3-15
0.242
GAB-REV-4a4e2ff3-8
0.242
GAB-REV-4a4e2ff3-14
0.242
MAK-UNK-be5ffcbc-2
0.242
TAM-UNI-c140e31a-21
0.240
BEN-VAN-d8fd1356-10
0.240
SIM-DEM-265738e1-1
0.239
SAM-UNK-903735bd-2
0.239
ELE-IMP-dfb36048-1
0.239
PET-SGC-f818f65b-1
0.239
TAM-UNI-c140e31a-15
0.239
GAB-REV-4a4e2ff3-16
0.238
WAR-XCH-e55cba98-2
0.238
SAM-UNK-903735bd-1
0.237
TAM-UNI-c140e31a-22
0.236
TAM-UNI-c140e31a-3
0.235
GAB-REV-4a4e2ff3-18
0.235
AAR-POS-d2a4d1df-2
0.235
DAR-DIA-caba39e3-6
0.234
NAU-LAT-81109c57-7
0.233
JOH-MSK-a63bdd1d-10
0.233
NIR-THE-0d6461ce-3
0.232
MAK-UNK-be5ffcbc-6
0.231
DAR-DIA-eace69ff-36
0.230
GAB-REV-4a4e2ff3-2
0.229
GAB-REV-4a4e2ff3-11
0.229
SCO-VAN-260d9628-8
0.228
GAB-REV-4a4e2ff3-19
0.228
BEN-VAN-d8fd1356-7
0.228
BEN-VAN-d8fd1356-22
0.227
MAK-UNK-be5ffcbc-4
0.226
ABI-SAT-30e287c1-2
0.225
GAB-REV-4a4e2ff3-7
0.224
YIA-UNI-71f25a82-2
0.224
LON-WEI-af038623-6
0.223
SCO-VAN-260d9628-6
0.221
GAB-REV-4a4e2ff3-6
0.221
MAR-TRE-4f39ef4a-26
0.221
MAR-UCB-195bc32d-19
0.221
JOH-MSK-a63bdd1d-9
0.221
SAN-PRS-3c4a6997-4
0.220
GAB-REV-4a4e2ff3-12
0.218
MAK-UNK-ec98eaf6-33
0.218
BEN-VAN-d8fd1356-8
0.218
BEN-VAN-d8fd1356-15
0.217
GAB-REV-4a4e2ff3-4
0.217
WAR-XCH-e55cba98-3
0.217
MAR-TRE-87acfbcc-96
0.217
MAK-UNK-be5ffcbc-3
0.216
MAK-UNK-37f1d6fa-2
0.216
MAR-UCB-195bc32d-23
0.215
BEN-VAN-d8fd1356-14
0.215
GAB-REV-4a4e2ff3-20
0.215
STU-CHA-bc0a9883-1
0.214
NAU-LAT-f723e322-1
0.214
JOK-SYG-302da050-1
0.214
NAU-LAT-81109c57-6
0.214
DAR-DIA-fb20be43-11
0.214
PET-SGC-1c3a473d-1
0.214
MAK-UNK-10572812-12
0.212
NAU-LAT-f723e322-2
0.212
ANT-OPE-47f3bb65-1
0.212
LON-WEI-b8d98729-34
0.212
TOM-OIS-cbf37265-2
0.212