Molecular Properties | |
SMILES: | Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1 |
MW: | 308.385 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 55.39 |
cLogP: | 2.5907 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
o-Substituted phenols (2)
mannich_A(296)
AAR-POS-d2a4d1df-1
AAR-POS-0daf6b7e-25
0.456
MAK-UNK-1ac43cfa-1
0.382
SAD-SAT-f0a2747f-6
0.372
SWA-SYN-40d44a84-5
0.329
MAK-UNK-1ac43cfa-2
0.326
MAK-UNK-b1d4dcd7-1
0.320
MAR-TRE-ebcc4ad6-45
0.310
MAK-UNK-1bb0b7ee-9
0.289
MAK-UNK-a7992eb3-12
0.288
AAR-UNI-c25c2f1e-44
0.287
RED-RED-10c9212c-24
0.282
CAS-DEP-751a2458-2
0.282
MAR-TRE-d3c2bf0e-16
0.282
AAR-POS-0daf6b7e-39
0.282
STU-CHA-0f79177c-1
0.280
MAK-UNK-1bb0b7ee-12
0.278
SWA-SYN-40d44a84-4
0.277
MAK-UNK-3ae66343-2
0.273
MAK-UNK-3ae66343-1
0.273
AAR-UNI-c25c2f1e-52
0.272
SWA-SYN-40d44a84-3
0.272
MAK-UNK-a7992eb3-4
0.270
MAK-UNK-7c9d1431-20
0.269
KRI-MAR-d2e3ef86-6
0.268
MAK-UNK-a7992eb3-19
0.266
MAR-TRE-8a25d817-28
0.265
SEL-UNI-cd366922-6
0.262
SEB-HKI-06b43755-1
0.261
ALP-POS-3fc1724e-3
0.260
MIH-UNI-e573136b-5
0.259
MAR-TRE-aca67d11-41
0.258
RED-RED-10c9212c-19
0.258
MAK-UNK-1bb0b7ee-15
0.255
MAR-TRE-87acfbcc-73
0.253
AAR-POS-d2a4d1df-40
0.250
MED-COV-4280ac29-31
0.250
ALP-POS-3fc1724e-8
0.250
WIL-UNI-d4749f31-37
0.250
AAR-UNI-c25c2f1e-58
0.250
MAR-TRE-9d18ae8c-20
0.250
NEH-REV-107bcf72-5
0.250
MAR-TRE-14ce9fd6-30
0.250
MAK-UNK-a7992eb3-25
0.248
MAK-UNK-1bb0b7ee-5
0.245
MAR-TRE-143fb005-37
0.244
MAR-TRE-423310b6-61
0.244
MAT-POS-162a9720-8
0.244
RED-RED-10c9212c-55
0.242
GAB-REV-70cc3ca5-9
0.242
JOO-IND-6372a4f3-6
0.241
MAR-TRE-dab8f6ea-1
0.240
MAR-TRE-1c920f6f-65
0.239
JAR-KUA-672ec752-12
0.239
MAR-TRE-f5c2d31c-48
0.239
JON-UIO-066ce08b-9
0.238
MAT-POS-ea426761-44
0.237
AAR-UNI-c25c2f1e-41
0.237
MAR-TRE-143fb005-16
0.237
MAR-TRE-36bf7dba-66
0.237
MAR-TRE-143fb005-29
0.236
MAR-TRE-143fb005-34
0.236
FRA-BIO-8bf1eac9-11
0.236
JOO-IND-6372a4f3-4
0.235
GAB-REV-4a4e2ff3-3
0.235
AAR-POS-d2a4d1df-41
0.235
TAT-ENA-80bfd3e5-20
0.235
MAK-UNK-1bb0b7ee-14
0.234
ALP-UNI-ed5cdfd2-7
0.234
DUN-NEW-f8ce3686-2
0.232
TAM-UNI-d1c3dd9f-9
0.232
FRA-BIO-8bf1eac9-2
0.232
STU-CHA-464c0256-1
0.232
ALP-UNI-ed5cdfd2-1
0.230
BOG-INS-0b2b845a-1
0.229
MAR-TRE-143fb005-30
0.227
MAR-TRE-143fb005-25
0.227
MAR-TRE-143fb005-31
0.227
JON-UIO-066ce08b-16
0.227
MAR-TRE-14ce9fd6-40
0.227
MAK-UNK-acefcb18-25
0.226
MAR-TRE-f5c2d31c-90
0.226
MIH-UNI-e573136b-4
0.226
JOO-IND-6372a4f3-5
0.225
ALP-UNI-ed5cdfd2-2
0.224
MAR-TRE-143fb005-24
0.224
MAK-UNK-c749d764-30
0.224
JON-UIO-066ce08b-11
0.224
JAN-GHE-6413aaf8-9
0.223
JAN-GHE-1d98ec1c-3
0.222
JAN-GHE-fd8d85a5-3
0.222
MAR-TRE-1c920f6f-61
0.221
DAR-DIA-fb20be43-9
0.221
KIM-UNI-7d12df64-1
0.221
ALP-UNI-ed5cdfd2-3
0.220
ANT-DIA-b7f58f21-3
0.219
ALP-POS-a30bcdb4-1
0.219
AAR-UNI-c25c2f1e-83
0.218
JAR-KUA-8c13982c-7
0.218
AAR-UNI-c25c2f1e-57
0.218
MAR-TRE-c8530538-3
0.217