Molecular Properties | |
SMILES: | CCCc1c[nH]c2c(Oc3cc(-c4cnc[nH]4)ccn3)cc(F)cc12 |
MW: | 336.37 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 66.59 |
cLogP: | 4.8369 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-11
0.810
BEN-VAN-d8fd1356-17
0.632
BEN-VAN-d8fd1356-9
0.598
BEN-VAN-d8fd1356-7
0.490
BEN-VAN-d8fd1356-16
0.468
BEN-VAN-3ef6186a-1
0.440
BEN-VAN-3ef6186a-3
0.429
BEN-VAN-d8fd1356-8
0.422
BEN-VAN-3ef6186a-2
0.413
BEN-VAN-d8fd1356-19
0.398
BEN-VAN-d8fd1356-27
0.374
GAB-REV-4a4e2ff3-7
0.366
BEN-VAN-d8fd1356-6
0.360
BEN-VAN-d8fd1356-4
0.360
BEN-VAN-d8fd1356-18
0.358
BEN-VAN-d8fd1356-15
0.354
GAB-REV-4a4e2ff3-9
0.336
NAU-LAT-81109c57-5
0.311
BEN-VAN-d8fd1356-5
0.307
GAB-REV-4a4e2ff3-2
0.302
BEN-VAN-d8fd1356-2
0.276
TAM-UNI-c140e31a-2
0.273
BEN-VAN-d8fd1356-25
0.269
BEN-VAN-d8fd1356-3
0.269
GAB-REV-4a4e2ff3-5
0.256
PET-SGC-1c3a473d-1
0.256
TAM-UNI-c140e31a-3
0.254
TAM-UNI-c140e31a-22
0.254
ASH-UNK-40b46b30-7
0.252
NAU-LAT-81109c57-7
0.252
GAB-REV-4a4e2ff3-8
0.250
GAB-REV-4a4e2ff3-1
0.250
MAK-UNK-10572812-12
0.242
GAB-REV-4a4e2ff3-21
0.241
DAR-DIA-eace69ff-32
0.240
MAK-UNK-be5ffcbc-2
0.239
WAR-XCH-e55cba98-3
0.238
GAB-REV-4a4e2ff3-13
0.237
ELE-IMP-dfb36048-1
0.236
PET-SGC-f818f65b-1
0.236
TAM-UNI-c140e31a-15
0.236
SIM-DEM-265738e1-1
0.236
SAM-UNK-903735bd-2
0.236
GAB-REV-4a4e2ff3-20
0.236
RAL-THA-6b94ceba-11
0.234
TAM-UNI-c140e31a-20
0.232
GAB-REV-4a4e2ff3-17
0.232
ANT-OPE-b90194ad-1
0.230
MAK-UNK-be5ffcbc-6
0.229
GAB-REV-4a4e2ff3-3
0.229
GAB-REV-4a4e2ff3-12
0.228
NAU-LAT-81109c57-3
0.228
MAK-UNK-be5ffcbc-9
0.228
TAM-UNI-c140e31a-21
0.228
GAB-REV-4a4e2ff3-11
0.228
BEN-VAN-d8fd1356-14
0.227
GAB-REV-4a4e2ff3-14
0.227
WIL-LEE-1f71e281-6
0.226
MAK-UNK-be5ffcbc-4
0.225
NAU-LAT-f723e322-2
0.224
DAR-DIA-eace69ff-30
0.223
ASH-UNK-40b46b30-5
0.223
SAM-UNK-903735bd-1
0.223
GAB-REV-df64cf17-8
0.221
JOK-SYG-b7365cd7-1
0.220
SAN-PRS-3c4a6997-4
0.220
MAR-TRE-3724962b-29
0.220
GAB-REV-4a4e2ff3-15
0.218
MAK-UNK-ec98eaf6-33
0.218
GAB-REV-4a4e2ff3-4
0.218
WAR-XCH-e55cba98-2
0.216
DAR-DIA-fb20be43-11
0.216
STU-CHA-bc0a9883-1
0.216
JOK-SYG-302da050-1
0.216
NAU-LAT-f723e322-1
0.216
MAK-UNK-be5ffcbc-5
0.216
LON-WEI-af038623-6
0.212
NIR-THE-0d6461ce-2
0.212
DAR-DIA-eace69ff-33
0.212
BEN-VAN-d8fd1356-1
0.211
GAB-REV-4a4e2ff3-6
0.211
BEN-VAN-d8fd1356-21
0.210
MAR-TRE-799db12b-12
0.209
BEN-VAN-d8fd1356-13
0.209
MAR-TRE-85681e92-60
0.207
GAB-REV-4a4e2ff3-16
0.206
DAR-DIA-eace69ff-34
0.204
BEN-VAN-d8fd1356-22
0.204
BEN-VAN-d8fd1356-28
0.204
GAB-REV-4a4e2ff3-18
0.203
MAK-UNK-37f1d6fa-4
0.203
GAB-REV-4a4e2ff3-10
0.203
DAR-DIA-eace69ff-36
0.202
WAR-XCH-e55cba98-5
0.202
MAK-UNK-10572812-6
0.201
MAK-UNK-10572812-2
0.200
ORN-MSD-5b974918-1
0.200
NIR-THE-0d6461ce-3
0.200
MAK-UNK-37f1d6fa-1
0.200
FRA-DIA-8640f307-1
0.199