Molecular Properties | |
SMILES: | CCCc1c[nH]c2c(Oc3cc(Cc4ccn[nH]4)ccn3)cc(F)c(Cl)c12 |
MW: | 384.842 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 66.59 |
cLogP: | 5.4141 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-VAN-d8fd1356-6
0.770
BEN-VAN-d8fd1356-4
0.635
BEN-VAN-d8fd1356-9
0.562
BEN-VAN-d8fd1356-8
0.558
BEN-VAN-d8fd1356-3
0.522
BEN-VAN-d8fd1356-7
0.406
BEN-VAN-d8fd1356-2
0.370
BEN-VAN-d8fd1356-10
0.307
BEN-VAN-d8fd1356-26
0.280
BEN-VAN-d8fd1356-11
0.270
BEN-VAN-d8fd1356-1
0.250
BEN-VAN-d8fd1356-19
0.243
GAB-REV-4a4e2ff3-1
0.234
BEN-VAN-d8fd1356-18
0.234
BEN-VAN-d8fd1356-20
0.231
BEN-VAN-d8fd1356-17
0.229
BEN-VAN-d8fd1356-16
0.226
BEN-VAN-d8fd1356-23
0.225
BEN-VAN-d8fd1356-13
0.224
PET-UNK-372a2f82-1
0.221
BEN-VAN-d8fd1356-12
0.221
BEN-VAN-d8fd1356-29
0.216
GAB-REV-4a4e2ff3-8
0.212
GAB-REV-4a4e2ff3-5
0.210
RAL-THA-6b94ceba-4
0.205
GAB-REV-4a4e2ff3-7
0.200
GAB-REV-4a4e2ff3-9
0.194
BEN-VAN-ed886787-20
0.192
BEN-VAN-d8fd1356-15
0.191
NIM-UNI-310206f0-11
0.190
MAT-GIT-deadff56-3
0.190
BAR-COM-0f94fc3d-22
0.190
NAU-LAT-81109c57-7
0.188
BEN-VAN-3ef6186a-1
0.185
GAB-REV-4a4e2ff3-21
0.183
BEN-VAN-ed886787-14
0.183
BEN-VAN-ed886787-6
0.183
MAR-UCB-195bc32d-10
0.182
BEN-VAN-ed886787-8
0.181
MAT-GIT-deadff56-4
0.181
MUS-SCH-c2f96c06-2
0.180
WIL-UNI-1faa9b10-53
0.178
BEN-VAN-d8fd1356-27
0.178
BEN-VAN-3ef6186a-3
0.177
GAB-REV-4a4e2ff3-2
0.176
PET-SGC-f818f65b-1
0.175
TAM-UNI-c140e31a-15
0.175
SIM-DEM-265738e1-1
0.175
SAM-UNK-903735bd-2
0.175
ELE-IMP-dfb36048-1
0.175
WIL-UNI-de614146-11
0.175
DAR-DIA-eace69ff-34
0.175
GAB-REV-4a4e2ff3-20
0.174
NAU-LAT-81109c57-5
0.174
TAM-UNI-c140e31a-2
0.172
BEN-VAN-ed886787-16
0.172
SHR-UNK-cde60afe-1
0.172
JUL-TUD-06b2044f-78
0.171
MAR-TRE-3159af1a-26
0.171
BEN-VAN-c4cc60be-1
0.171
BEN-VAN-ed886787-3
0.171
BEN-VAN-ed886787-9
0.169
GAB-REV-4a4e2ff3-12
0.169
DAR-DIA-eace69ff-27
0.168
DAR-DIA-eace69ff-18
0.168
NIC-BIO-3276ca7f-6
0.168
NIR-THE-0d6461ce-2
0.168
NIR-THE-c331be7a-3
0.168
MAK-UNK-516d8086-8
0.167
ASH-UNK-40b46b30-7
0.167
JON-UNI-57097b3f-2
0.167
MAK-UNK-ec98eaf6-41
0.167
ALP-UNI-fe744232-23
0.166
BEN-VAN-5787f7d3-2
0.165
SAL-INS-3161d1be-2
0.165
MAT-POS-ea426761-41
0.165
GAB-REV-df64cf17-8
0.165
MAT-POS-ea426761-72
0.165
JOH-MSK-a63bdd1d-2
0.165
WIL-LEE-364b6ea8-13
0.165
PAU-WEI-b9b69149-9
0.164
MAK-UNK-10572812-11
0.164
MAR-TRE-3159af1a-64
0.164
GAB-REV-4a4e2ff3-13
0.164
MAK-UNK-37f1d6fa-2
0.164
MAR-TRE-799db12b-12
0.164
MUS-SCH-c2f96c06-3
0.164
MIC-UNK-4c7b8ba7-1
0.164
BEN-BAS-bb561ced-1
0.163
BRU-THA-92256091-16
0.163
HAN-NEW-5f56c3bc-4
0.163
GAB-REV-4a4e2ff3-17
0.163
DAR-DIA-caba39e3-6
0.163
EDJ-MED-bbe8e3da-1
0.163
BEN-VAN-3ef6186a-2
0.163
BEN-VAN-ed886787-7
0.163
BEN-VAN-ed886787-5
0.163
NIC-BIO-3276ca7f-5
0.163
MAK-UNK-516d8086-23
0.163
TRY-UNI-1fd04853-9
0.162