Molecular Properties | |
SMILES: | c1ccc(CN2CCNCC2)cc1 |
MW: | 176.263 |
Fraction sp3: | 0.45 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 15.27 |
cLogP: | 1.0918 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-2301913248 |
JOH-IMS-7e73aedd-4
0.550
MAK-UNK-7c9d1431-24
0.489
DRR-IMP-38dce17f-3
0.489
SAD-SAT-1f400d17-1
0.449
GIA-UNK-5ec6c2b8-3
0.449
GIA-UNK-595fac82-5
0.393
AAR-POS-0daf6b7e-30
0.389
ANT-OPE-c0c3e7cc-1
0.386
MAR-TRE-66ac689e-83
0.381
WIL-LEE-23e8b574-6
0.377
MAR-TRE-66ac689e-43
0.375
MAR-TRE-66ac689e-34
0.343
MAK-UNK-1ac43cfa-1
0.329
KRI-MAR-d2e3ef86-5
0.329
BEN-DND-7e92b6ca-10
0.329
MAR-TRE-66ac689e-7
0.324
JOH-IMS-1436231f-6
0.321
AAR-POS-0daf6b7e-29
0.321
STE-KUL-2e0d2e88-7
0.318
MAK-UNK-6435e6c2-9
0.304
AAR-POS-0daf6b7e-26
0.304
MAR-TRE-d3c2bf0e-21
0.302
MAK-UNK-009ebe36-8
0.301
MED-COV-4280ac29-17
0.300
MAT-POS-b5746674-110
0.295
MAK-UNK-a7992eb3-23
0.290
MAK-UNK-a7992eb3-22
0.290
AAR-POS-d2a4d1df-24
0.283
MAK-UNK-748f8b7a-1
0.281
MAK-UNK-15efde89-1
0.279
LON-WEI-5e7d1b3e-32
0.274
LON-WEI-4d77710c-32
0.274
MAT-POS-b5746674-105
0.274
MAK-UNK-af83ef51-1
0.273
MAK-UNK-ec98eaf6-5
0.273
MAK-UNK-748f8b7a-6
0.272
MAK-UNK-6ca90168-14
0.271
MAR-LAB-efb042c5-6
0.271
DRR-IMP-38dce17f-7
0.271
MED-COV-4280ac29-19
0.270
MAK-UNK-7c9d1431-29
0.268
MED-COV-4280ac29-25
0.268
DAN-LON-a5fc619e-10
0.268
MED-COV-4280ac29-8
0.268
AAR-POS-d2a4d1df-35
0.267
MED-COV-4280ac29-15
0.267
JOH-UNI-0e1753c1-2
0.267
DRR-IMP-38dce17f-4
0.267
JOH-UNI-0e1753c1-3
0.267
HYO-UNK-49a60884-1
0.267
MAK-UNK-a7992eb3-10
0.266
SAD-SAT-c989feaa-4
0.265
MAK-UNK-1ac43cfa-2
0.263
DRR-IMP-38dce17f-6
0.263
MAK-UNK-a7992eb3-24
0.263
MAK-UNK-7c9d1431-23
0.262
MAK-UNK-748f8b7a-5
0.262
MAR-TRE-6a44bbf2-28
0.262
MAT-POS-ee51dedd-1
0.262
DAN-LON-a5fc619e-5
0.260
MAK-UNK-e4a48a85-4
0.260
DRA-CSI-47e38074-2
0.259
ANT-OPE-d972fbad-1
0.259
MAK-UNK-6ca90168-13
0.258
JOH-UNI-23d9e1b1-1
0.258
ERI-UCB-b3e6b0c2-6
0.258
DRR-IMP-38dce17f-2
0.258
SAD-SAT-7d5528d9-21
0.258
DRA-CSI-0a78d9ba-1
0.256
ERI-UCB-b3e6b0c2-5
0.255
DRA-CSI-47e38074-5
0.255
GIA-UNK-5ec6c2b8-5
0.254
MAK-UNK-af83ef51-11
0.254
SAD-SAT-7d5528d9-24
0.254
MAK-UNK-a7992eb3-13
0.253
MAT-POS-8695a11f-2
0.250
DUN-NEW-f8ce3686-25
0.250
JOO-PER-74f994a9-1
0.250
MAK-UNK-b1d4dcd7-5
0.250
ERI-UCB-b3e6b0c2-4
0.250
MAK-UNK-af83ef51-2
0.250
ERI-UCB-8d4e5055-2
0.250
MAK-UNK-987948f6-2
0.250
MAK-UNK-a7992eb3-20
0.250
ERI-UCB-b3e6b0c2-18
0.247
ERI-UCB-b3e6b0c2-14
0.247
JAR-KUA-8c13982c-17
0.247
JAR-KUA-8c13982c-13
0.247
GIA-UNK-20b63697-4
0.246
JOK-SYG-18591e8f-1
0.246
UNK-UNK-2ede4078-98
0.246
MAK-UNK-31051d4e-2
0.244
SAD-SAT-7d5528d9-15
0.243
MAR-TRE-8190bb11-21
0.243
MAK-UNK-1bb0b7ee-11
0.243
MAK-UNK-10dfa458-39
0.242
JOH-UNI-0e1753c1-1
0.242
DRA-CSI-0a78d9ba-5
0.242
JIA-UNI-93b03cae-1
0.242
WIL-LEE-23e8b574-2
0.242