Molecular Properties | |
SMILES: | Clc1cc(OCc2cccc3[nH]ccc23)c2cn[nH]c2c1 |
MW: | 297.07 |
Fraction sp3: | 0.06 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 53.7 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
GIA-UNK-b9c616ea-2
0.513
RYA-MOD-343ecd80-1
0.513
RYA-MOD-343ecd80-3
0.488
GIA-UNK-b9c616ea-7
0.373
GIA-UNK-b9c616ea-3
0.353
MAT-POS-ea426761-71
0.320
JOH-UNI-f0df842c-1
0.305
JOH-UNI-7a6e29a5-3
0.303
NAU-LAT-356bd3c2-3
0.297
JOH-UNI-7a6e29a5-1
0.286
JOH-UNI-0304dea8-4
0.286
JOH-UNI-7a6e29a5-2
0.283
JOH-UNI-7a6e29a5-4
0.283
JOH-UNI-0304dea8-3
0.280
RYA-MOD-343ecd80-6
0.273
JOH-UNI-6fc75a7c-2
0.272
NAU-LAT-356bd3c2-1
0.269
ALP-POS-c59291d4-5
0.269
JOH-UNI-0304dea8-1
0.263
NAU-LAT-356bd3c2-2
0.261
GIA-UNK-b9c616ea-4
0.258
JOH-UNI-7a6e29a5-5
0.258
GIA-UNK-b9c616ea-6
0.253
JOH-UNI-0304dea8-2
0.253
GIA-UNK-b9c616ea-5
0.250
RYA-MOD-343ecd80-2
0.250
JOH-UNI-6fc75a7c-5
0.245
JOH-UNI-f0df842c-4
0.245
RYA-MOD-343ecd80-8
0.240
RYA-MOD-343ecd80-7
0.240
MAT-POS-199e2e7c-2
0.235
JIN-POS-6dc588a4-12
0.235
JOH-UNI-6fc75a7c-4
0.234
NAU-LAT-356bd3c2-7
0.232
VLA-UCB-00f2c2b3-7
0.229
JON-UIO-56032f80-6
0.228
JON-UIO-56032f80-3
0.227
RUB-POS-1325a9ea-13
0.224
JOH-UNI-6fc75a7c-1
0.223
JOH-UNI-6fc75a7c-3
0.221
RYA-UNI-da6d17ea-1
0.219
NAU-LAT-356bd3c2-10
0.219
GIA-UNK-b9c616ea-1
0.218
LUK-UNK-17c446f9-1
0.214
NAU-LAT-30527ac5-3
0.213
ALP-POS-91609ae9-3
0.213
NIM-UNI-310206f0-61
0.211
DAR-DIA-0587064e-23
0.211
RAL-THA-1d44ff04-7
0.211
JIN-POS-6dc588a4-14
0.210
GAB-REV-70cc3ca5-6
0.209
MAR-UCB-fd2e172f-31
0.209
ALV-UNI-7ff1a6f9-15
0.208
NAU-LAT-356bd3c2-8
0.206
ALV-UNI-7ff1a6f9-21
0.206
NIM-UNI-310206f0-39
0.205
NAU-LAT-a5c7d7cb-10
0.204
EDJ-MED-c8e7a002-11
0.204
VLA-UCB-1dbca3b4-11
0.204
NAU-LAT-30527ac5-1
0.204
JAG-UCB-cedd89ab-7
0.202
RAL-THA-6b94ceba-9
0.202
NIM-UNI-310206f0-10
0.202
MAT-POS-173a45da-2
0.200
DAR-DIA-0587064e-22
0.200
SID-ELM-2583a2cd-8
0.200
SID-ELM-2583a2cd-10
0.200
CHO-MSK-6e55470f-6
0.200
AMY-UNI-fde3583d-1
0.200
WIL-UNI-d4749f31-18
0.200
NIM-UNI-310206f0-57
0.198
MAT-POS-281d2ee9-2
0.198
RAL-THA-1d44ff04-8
0.198
RYA-UNI-6f4cba40-1
0.198
RAL-THA-1d44ff04-2
0.197
VLA-UNK-792b5d03-3
0.195
DAR-DIA-0587064e-25
0.195
AMY-UNI-cb2a69e8-1
0.195
NIM-UNI-310206f0-58
0.195
NIM-UNI-310206f0-53
0.195
DAR-DIA-0587064e-18
0.195
MAR-TRE-4f39ef4a-5
0.194
VLA-UCB-1dbca3b4-9
0.194
MIC-UNK-221d8b72-1
0.194
SID-ELM-8b394441-10
0.194
MED-UNK-28939ac5-12
0.193
VLA-UCB-1dbca3b4-8
0.192
VLA-UNK-792b5d03-2
0.192
KTA-UNK-dac325de-2
0.192
NIM-UNI-310206f0-60
0.192
MAR-TRE-fffca54f-1
0.191
MAT-POS-f42f3716-9
0.191
NIM-UNI-310206f0-50
0.190
NIM-UNI-310206f0-65
0.190
MAR-TRE-4f781e27-69
0.190
NAU-LAT-30527ac5-2
0.190
EDJ-MED-c8e7a002-12
0.190
NIM-UNI-310206f0-62
0.189
MAR-TRE-4f781e27-6
0.189
RAL-THA-6b94ceba-11
0.189