Molecular Properties | |
SMILES: | c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1 |
MW: | 316.364 |
Fraction sp3: | 0.05 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 62.83 |
cLogP: | 4.3623 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-1bb0b7ee-5
0.570
MAK-UNK-1bb0b7ee-12
0.557
AAR-POS-0daf6b7e-25
0.529
SWA-SYN-40d44a84-5
0.487
MAK-UNK-a7992eb3-4
0.475
MAK-UNK-a7992eb3-25
0.467
SWA-SYN-40d44a84-4
0.462
MAK-UNK-1bb0b7ee-14
0.450
MAK-UNK-a7992eb3-12
0.449
MAK-UNK-a7992eb3-19
0.446
MAK-UNK-1bb0b7ee-15
0.431
MAK-UNK-1ac43cfa-1
0.379
MAK-UNK-3ae66343-2
0.377
JAR-KUA-672ec752-12
0.376
MAR-TRE-87acfbcc-73
0.302
ALP-POS-a30bcdb4-1
0.295
ALP-POS-3fc1724e-8
0.290
SWA-SYN-40d44a84-1
0.289
MAK-UNK-a7992eb3-8
0.283
MAR-TRE-423310b6-61
0.278
MAR-TRE-143fb005-37
0.278
ALP-POS-a30bcdb4-2
0.271
MAK-UNK-3ae66343-1
0.262
MAR-TRE-14ce9fd6-30
0.256
AAR-POS-0daf6b7e-39
0.253
AAR-UNI-c25c2f1e-44
0.252
SWA-SYN-40d44a84-3
0.250
ALP-UNI-ed5cdfd2-1
0.248
GAB-REV-70cc3ca5-9
0.247
MAR-TRE-143fb005-31
0.247
MAR-TRE-ebcc4ad6-45
0.247
MAR-TRE-1c920f6f-65
0.245
MAR-TRE-143fb005-24
0.243
ALP-UNI-ed5cdfd2-2
0.243
AAR-UNI-c25c2f1e-58
0.242
WIL-UNI-d4749f31-37
0.242
MAR-TRE-d3c2bf0e-16
0.241
MAR-TRE-1c920f6f-61
0.240
ALP-UNI-ed5cdfd2-7
0.240
ALP-UNI-ed5cdfd2-3
0.238
SAD-SAT-f0a2747f-6
0.237
MAR-TRE-143fb005-14
0.235
MAR-TRE-143fb005-25
0.234
MAR-TRE-14ce9fd6-40
0.233
MAK-UNK-1bb0b7ee-6
0.231
AAR-UNI-c25c2f1e-41
0.230
MAR-TRE-143fb005-16
0.230
MAR-TRE-36bf7dba-66
0.230
MAR-TRE-143fb005-34
0.229
MAR-TRE-143fb005-29
0.229
MAR-TRE-8a25d817-28
0.228
MAK-UNK-b1d4dcd7-1
0.228
MAR-TRE-143fb005-17
0.225
MAR-TRE-aca67d11-41
0.224
AAR-UNI-c25c2f1e-57
0.224
RED-RED-10c9212c-55
0.224
MAR-TRE-143fb005-20
0.223
MAR-TRE-143fb005-28
0.223
MAR-TRE-143fb005-13
0.221
MAR-TRE-143fb005-30
0.221
MAR-TRE-4b834d9a-8
0.219
MAR-TRE-04c86cea-25
0.217
MAK-UNK-1bb0b7ee-7
0.214
AAR-UNI-c25c2f1e-52
0.214
CAS-DEP-751a2458-2
0.213
AAR-UNI-c25c2f1e-83
0.213
ALP-POS-ddb41b15-9
0.212
MAR-TRE-9d18ae8c-12
0.212
MAR-TRE-143fb005-19
0.212
MAK-UNK-1ac43cfa-2
0.212
MAR-TRE-04c86cea-88
0.211
MAK-UNK-1bb0b7ee-1
0.209
MAR-TRE-9d18ae8c-20
0.208
MAK-UNK-a7992eb3-29
0.208
GAB-REV-4a4e2ff3-3
0.207
GAB-REV-df64cf17-15
0.206
MAR-TRE-d0525fbf-43
0.206
MAR-TRE-4b834d9a-76
0.205
SEB-HKI-06b43755-1
0.204
WIL-UNI-d4749f31-21
0.204
BAR-COM-4e090d3a-22
0.202
GAB-REV-df64cf17-18
0.202
MAR-TRE-04c86cea-70
0.202
MAR-TRE-f6f5f473-50
0.202
ADA-UCB-6c2cb422-10
0.202
MAR-TRE-d0525fbf-12
0.200
ERI-UCB-ce40166b-25
0.200
MAR-TRE-4b834d9a-55
0.200
MAK-UNK-c749d764-30
0.198
JUL-TUD-06b2044f-155
0.198
MAR-TRE-4b834d9a-70
0.196
WAR-XCH-b0339bbe-13
0.194
MAR-TRE-14ce9fd6-87
0.194
COM-UCB-1ef4e90e-3
0.193
SWA-SYN-59528602-1
0.191
IND-SYN-35527f5a-1
0.191
IND-SYN-8bc6954a-3
0.191
KAD-UNI-b13decd3-12
0.191
MAR-TRE-04c86cea-69
0.191
MAR-TRE-b77b7921-19
0.190