Molecular Properties | |
SMILES: | O=C(Nc1ncnn1C1CC1)c1cccc2[nH]ccc12 |
MW: | 267.11 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.6 |
cLogP: | 2.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-c59291d4-5
NAU-LAT-356bd3c2-2
0.438
MIC-UNK-221d8b72-1
0.386
ALP-POS-c59291d4-5
0.360
NAU-LAT-356bd3c2-1
0.360
JOH-UNI-6fc75a7c-3
0.353
RYA-MOD-343ecd80-2
0.352
JOH-UNI-6fc75a7c-2
0.349
JOH-UNI-6fc75a7c-5
0.349
GAB-REV-70cc3ca5-6
0.347
JOH-UNI-7a6e29a5-5
0.344
JOH-UNI-6fc75a7c-1
0.341
GIA-UNK-b9c616ea-6
0.341
JON-UIO-56032f80-3
0.341
JOH-UNI-0304dea8-2
0.341
JOH-UNI-6fc75a7c-4
0.337
JON-UIO-56032f80-6
0.337
JOH-UNI-f0df842c-1
0.337
NAU-LAT-356bd3c2-3
0.330
GIA-UNK-b9c616ea-1
0.326
ANT-OPE-bf404da3-1
0.326
JOH-UNI-0304dea8-1
0.322
LUK-UNK-17c446f9-1
0.319
NAU-LAT-356bd3c2-7
0.315
RYA-MOD-343ecd80-3
0.305
GIA-UNK-b9c616ea-5
0.293
GIA-UNK-b9c616ea-4
0.289
NIM-UNI-310206f0-56
0.278
NIM-UNI-310206f0-50
0.263
JOH-UNI-0304dea8-4
0.261
JOH-UNI-7a6e29a5-2
0.258
NIM-UNI-310206f0-59
0.256
SID-ELM-8b394441-21
0.253
NIM-UNI-310206f0-39
0.250
JOH-UNI-7a6e29a5-1
0.247
NIM-UNI-310206f0-61
0.244
NIM-UNI-310206f0-57
0.243
NIM-UNI-310206f0-30
0.242
NIM-UNI-310206f0-64
0.242
NIM-UNI-310206f0-65
0.242
SID-ELM-b654bfa2-11
0.240
NIM-UNI-310206f0-33
0.239
RYA-MOD-343ecd80-1
0.239
GIA-UNK-b9c616ea-2
0.239
NIM-UNI-310206f0-10
0.238
NIM-UNI-310206f0-52
0.238
NIM-UNI-310206f0-53
0.237
RAF-POL-950dada1-7
0.236
NIM-UNI-310206f0-60
0.235
RYA-UNI-da6d17ea-1
0.234
JOH-UNI-f0df842c-4
0.234
AMY-UNI-96aa4547-1
0.233
SID-ELM-2583a2cd-1
0.232
JOH-UNI-7a6e29a5-4
0.232
NIM-UNI-310206f0-47
0.230
NIM-UNI-310206f0-66
0.230
NAU-LAT-356bd3c2-11
0.229
JOH-UNI-f0df842c-2
0.229
JOH-UNI-0304dea8-3
0.229
NIM-UNI-310206f0-55
0.228
WIL-UNI-d4749f31-38
0.228
GIA-UNK-b9c616ea-3
0.226
AMY-UNI-cb2a69e8-1
0.226
RYA-UNI-6f4cba40-1
0.226
GIA-UNK-3883fa4f-3
0.224
SID-ELM-8b394441-24
0.224
JON-UIO-56032f80-7
0.224
JOH-UNI-04a01eac-2
0.224
WIL-UNI-d4749f31-18
0.224
JOH-UNI-7a6e29a5-3
0.223
NAU-LAT-8502cac5-16
0.223
KRI-MAR-d2e3ef86-12
0.223
JAG-UCB-c61058a9-5
0.222
JAG-UCB-52b62a6f-17
0.222
AMY-UNI-fde3583d-1
0.221
KEI-TRE-d5e2018a-20
0.221
SID-ELM-8b394441-10
0.221
PET-UNK-8df914d1-5
0.221
SAD-SAT-f25ee457-5
0.220
NIM-UNI-310206f0-62
0.220
RYA-MOD-343ecd80-8
0.218
MED-UNK-28939ac5-12
0.217
NIM-UNI-310206f0-58
0.217
COM-UCB-1ef4e90e-1
0.216
RYA-MOD-343ecd80-7
0.216
MAT-POS-ea426761-71
0.216
GIA-UNK-b9c616ea-7
0.215
BRU-CON-67e07230-1
0.214
NAU-LAT-e1818702-3
0.214
MAR-TRE-9d18ae8c-38
0.214
EDJ-MED-239d8ca5-1
0.214
JAN-GHE-f4ca5a00-11
0.214
JIN-POS-6dc588a4-12
0.212
MAT-POS-ea426761-14
0.212
MIC-UNK-cdc2493e-14
0.212
RAL-THA-5ed3c24e-3
0.212
JAN-GHE-f4ca5a00-12
0.211
NAU-LAT-e1818702-1
0.211
AMY-UNI-82e4a3e2-1
0.210
JAG-UCB-c61058a9-22
0.210
RAL-THA-3d7a794f-1
0.210