Molecular Properties | |
SMILES: | CC(O)CNCc1nc2ccccc2[nH]1 |
MW: | 205.12 |
Fraction sp3: | 0.36 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 60.94 |
cLogP: | 1.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-20
MAR-TRE-87acfbcc-73
0.469
AAR-POS-0daf6b7e-39
0.446
MAR-TRE-ebcc4ad6-45
0.431
MAR-TRE-423310b6-61
0.426
AAR-UNI-c25c2f1e-58
0.419
AAR-UNI-c25c2f1e-41
0.400
ALP-UNI-ed5cdfd2-7
0.395
GAB-REV-70cc3ca5-9
0.392
AAR-UNI-c25c2f1e-83
0.378
SAD-SAT-f0a2747f-6
0.366
MAR-TRE-d3c2bf0e-16
0.364
MAR-TRE-14ce9fd6-30
0.364
AAR-UNI-c25c2f1e-57
0.361
MAR-TRE-8a25d817-28
0.357
AAR-POS-0daf6b7e-25
0.348
MAK-UNK-3ae66343-2
0.333
GAB-REV-4a4e2ff3-3
0.333
MAR-TRE-36bf7dba-66
0.329
MAR-TRE-1c920f6f-61
0.325
MAR-TRE-aca67d11-41
0.325
AAR-UNI-c25c2f1e-52
0.321
SWA-SYN-40d44a84-5
0.319
RED-RED-10c9212c-19
0.318
SWA-SYN-40d44a84-4
0.315
MAR-TRE-14ce9fd6-40
0.313
MAR-TRE-143fb005-30
0.307
CAS-DEP-751a2458-2
0.304
JAR-KUA-672ec752-12
0.303
MAR-TRE-143fb005-37
0.293
MAR-TRE-143fb005-25
0.289
MAR-TRE-143fb005-31
0.289
MAR-TRE-143fb005-19
0.286
MAR-TRE-143fb005-34
0.282
MAR-TRE-143fb005-29
0.282
MAR-TRE-9d18ae8c-20
0.279
SWA-SYN-40d44a84-1
0.273
MAR-TRE-9d18ae8c-12
0.271
MAR-TRE-143fb005-28
0.271
MAK-UNK-1bb0b7ee-14
0.270
MAR-TRE-1c920f6f-65
0.268
MAR-TRE-143fb005-13
0.267
MAK-UNK-1bb0b7ee-12
0.265
MAR-TRE-143fb005-16
0.265
MAR-TRE-143fb005-24
0.264
MAK-UNK-1bb0b7ee-9
0.262
AAR-UNI-c25c2f1e-44
0.261
MAR-TRE-143fb005-17
0.259
COM-UCB-8c7d23dc-2
0.258
MAR-TRE-143fb005-14
0.256
MAR-TRE-143fb005-20
0.256
MAK-UNK-1ac43cfa-1
0.256
ALP-POS-ddb41b15-9
0.253
ALP-UNI-ed5cdfd2-2
0.250
WIL-UNI-d4749f31-37
0.250
MAK-UNK-c749d764-30
0.247
SEB-HKI-06b43755-1
0.247
COM-UCB-1ef4e90e-3
0.244
ALP-UNI-ed5cdfd2-3
0.244
ANT-OPE-ab37bd51-1
0.244
ALP-POS-a30bcdb4-1
0.242
RED-RED-10c9212c-55
0.242
ALP-UNI-ed5cdfd2-1
0.242
ALP-POS-3fc1724e-8
0.237
MAK-UNK-a7992eb3-25
0.236
MAR-TRE-74c6519b-79
0.236
MAR-TRE-c8530538-26
0.236
MAK-UNK-a7992eb3-4
0.236
ANT-OPE-ab37bd51-2
0.235
MAK-UNK-b1d4dcd7-1
0.232
MAK-UNK-1bb0b7ee-5
0.232
MAR-TRE-fd17a9b8-24
0.228
ALP-POS-a30bcdb4-2
0.222
MAR-TRE-c8530538-92
0.220
MAR-TRE-1c920f6f-86
0.220
SAN-PRS-3c4a6997-2
0.219
MAK-UNK-1bb0b7ee-15
0.219
MAR-TRE-c8530538-50
0.217
BAR-COM-4e090d3a-22
0.216
MAK-UNK-a7992eb3-12
0.216
NIM-UNI-bb9030bf-7
0.215
MAR-TRE-c8530538-97
0.213
BUT-SEX-9e782cc8-1
0.212
BEN-DND-93268d01-1
0.211
BEN-DND-03406596-11
0.211
BEN-DND-03406596-12
0.211
BEN-DND-03406596-4
0.211
WIL-UNI-2a57d06c-39
0.211
MAR-TRE-fd17a9b8-55
0.209
MAR-TRE-a3327163-75
0.209
MAR-TRE-87acfbcc-35
0.208
MAK-UNK-a7992eb3-19
0.208
MAR-TRE-c8530538-71
0.206
MAR-LAB-ca4662a6-7
0.205
CUN-WAB-25b584ee-1
0.205
MAT-POS-b5746674-48
0.203
MAR-TRE-c8530538-16
0.202
MAR-TRE-36bf7dba-27
0.200
MAR-UCB-195bc32d-22
0.200
AHN-SAT-324b361c-1
0.200
MAR-TRE-c8530538-76
0.200