Molecular Properties | |
SMILES: | O=c1[nH]cccc1CNc1nc2ccccc2[nH]1 |
MW: | 240.266 |
Fraction sp3: | 0.08 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 73.57 |
cLogP: | 1.8633 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_207____10150246____14323502 |
Enamine Extended REAL: | s_207____10150246____14323502 |
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-25
0.590
SWA-SYN-40d44a84-5
0.537
MAK-UNK-1bb0b7ee-12
0.487
MAK-UNK-1bb0b7ee-9
0.462
JAR-KUA-672ec752-12
0.446
MAK-UNK-3ae66343-2
0.433
MAK-UNK-1ac43cfa-1
0.407
MAK-UNK-1bb0b7ee-5
0.404
MAK-UNK-1bb0b7ee-14
0.378
MAK-UNK-a7992eb3-4
0.376
MAK-UNK-a7992eb3-12
0.375
MAK-UNK-1bb0b7ee-15
0.374
MAK-UNK-a7992eb3-19
0.360
MAK-UNK-a7992eb3-25
0.346
MAK-UNK-3ae66343-1
0.315
ALP-POS-a30bcdb4-1
0.312
AAR-POS-0daf6b7e-39
0.309
MAR-TRE-87acfbcc-73
0.308
MAR-TRE-ebcc4ad6-45
0.300
ALP-UNI-ed5cdfd2-7
0.295
ALP-POS-3fc1724e-8
0.293
MAR-TRE-14ce9fd6-30
0.289
MAR-TRE-1c920f6f-65
0.287
ALP-UNI-ed5cdfd2-1
0.287
ALP-POS-a30bcdb4-2
0.284
WIL-UNI-d4749f31-37
0.284
ALP-UNI-ed5cdfd2-2
0.283
MAR-TRE-423310b6-61
0.280
AAR-UNI-c25c2f1e-44
0.280
SWA-SYN-40d44a84-3
0.278
SWA-SYN-40d44a84-1
0.277
ALP-UNI-ed5cdfd2-3
0.277
GAB-REV-70cc3ca5-9
0.276
MAR-TRE-1c920f6f-61
0.267
SAD-SAT-f0a2747f-6
0.265
MAK-UNK-b1d4dcd7-1
0.262
MAR-TRE-143fb005-25
0.262
MAR-TRE-143fb005-30
0.262
IND-SYN-8bc6954a-3
0.259
SWA-SYN-59528602-1
0.259
IND-SYN-35527f5a-1
0.259
MAR-TRE-d3c2bf0e-16
0.256
AAR-UNI-c25c2f1e-41
0.256
AAR-UNI-c25c2f1e-58
0.256
AAR-UNI-c25c2f1e-52
0.250
MAR-TRE-143fb005-37
0.250
AAR-UNI-c25c2f1e-57
0.247
RED-RED-10c9212c-55
0.247
MAR-TRE-143fb005-31
0.247
MAR-TRE-9d18ae8c-20
0.242
MAR-TRE-143fb005-16
0.242
MAR-TRE-143fb005-34
0.241
MAR-TRE-8a25d817-28
0.241
CAS-DEP-751a2458-2
0.241
GAB-REV-4a4e2ff3-3
0.240
SEB-HKI-06b43755-1
0.239
MAR-TRE-aca67d11-41
0.236
AAR-UNI-c25c2f1e-83
0.235
NAU-LAT-30527ac5-3
0.235
MAR-TRE-143fb005-19
0.234
ALP-POS-ddb41b15-9
0.233
MAR-TRE-14ce9fd6-40
0.232
MAR-TRE-143fb005-24
0.229
MAK-UNK-c749d764-30
0.229
MAR-TRE-36bf7dba-66
0.228
MAR-TRE-143fb005-29
0.227
COM-UCB-1ef4e90e-3
0.224
COM-UCB-8c7d23dc-2
0.224
RED-RED-10c9212c-19
0.224
MAR-TRE-143fb005-17
0.223
GAB-REV-df64cf17-18
0.223
MAR-TRE-143fb005-20
0.221
MAR-TRE-143fb005-14
0.221
MAR-TRE-143fb005-28
0.221
MAR-TRE-9d18ae8c-12
0.221
MAR-TRE-a3327163-92
0.221
MAR-TRE-143fb005-13
0.219
ALP-POS-a0a4abd7-6
0.217
ALP-UNI-ed5cdfd2-5
0.216
ALP-UNI-ed5cdfd2-8
0.216
MAR-TRE-a3327163-75
0.216
ALP-UNI-ed5cdfd2-6
0.212
DAR-DIA-2964957d-6
0.211
BAR-COM-4e090d3a-22
0.211
MAK-UNK-a7b37c5e-1
0.210
MAK-UNK-1ac43cfa-2
0.208
MAR-TRE-c8530538-4
0.208
ALP-UNI-ed5cdfd2-4
0.206
MAR-TRE-0fda4e82-70
0.206
RAL-THA-1d44ff04-12
0.202
MAR-TRE-14ce9fd6-13
0.200
MAR-TRE-c8530538-32
0.200
ANT-OPE-ab37bd51-2
0.200
EDJ-MED-c8e7a002-11
0.200
NAU-LAT-a5c7d7cb-10
0.200
RED-RED-10c9212c-28
0.200
RED-RED-10c9212c-29
0.200
DAR-DIA-8e329c92-9
0.198
MAR-TRE-3e4e6814-100
0.198
MAR-TRE-92684b97-53
0.198