Molecular Properties | |
SMILES: | CN(C)c1ncc(CN2CCC(CCC(=O)N3CCOCC3)CC2)cn1 |
MW: | 361.25 |
Fraction sp3: | 0.74 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 61.8 |
cLogP: | 1.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3228406963 |
MolPort: | MolPort-039-036-098 |
MAR-TRE-dab8f6ea-41
0.729
MAR-TRE-dab8f6ea-26
0.494
MAR-TRE-dab8f6ea-16
0.320
MAR-TRE-dab8f6ea-45
0.304
MAR-TRE-f5c2d31c-53
0.303
GIA-UNK-3f36037a-1
0.295
MAK-UNK-af83ef51-1
0.284
MAR-TRE-dab8f6ea-33
0.282
DAR-DIA-fb20be43-18
0.282
TAM-UNI-d1c3dd9f-12
0.281
JOH-UNI-27ac80fd-8
0.281
MAR-TRE-dab8f6ea-42
0.280
MAK-UNK-f983951f-21
0.279
JOH-UNI-27ac80fd-7
0.278
JOH-UNI-abdb2f0c-3
0.273
VIT-UNK-2a0afa28-1
0.270
MAR-TRE-c317dd82-13
0.268
MAR-TRE-dab8f6ea-13
0.268
MAR-TRE-dab8f6ea-31
0.268
MAR-TRE-dab8f6ea-47
0.268
MAK-UNK-849bee6c-14
0.263
MAR-TRE-f5c2d31c-64
0.263
MAR-TRE-dab8f6ea-20
0.262
MAR-TRE-3159af1a-45
0.262
MAK-UNK-10dfa458-8
0.258
STU-CHA-6cae54d3-1
0.257
DAR-DIA-fb20be43-17
0.257
SCO-CSI-e30c12ee-1
0.257
GIA-UNK-3f36037a-6
0.256
MAR-TRE-8190bb11-7
0.255
SAD-SAT-f25ee457-4
0.252
MAR-TRE-dab8f6ea-18
0.252
UNK-UNK-2ede4078-98
0.250
JOH-UNI-27ac80fd-2
0.250
MAK-UNK-7c9d1431-18
0.250
BEN-VAN-c986b20b-15
0.250
GIA-UNK-3f36037a-2
0.250
JOH-UNI-27ac80fd-4
0.250
DRR-IMP-38dce17f-4
0.250
DAR-DIA-fb20be43-16
0.248
TAM-UNI-d1c3dd9f-1
0.248
MAR-TRE-c317dd82-7
0.247
MAR-TRE-6a44bbf2-54
0.247
MAK-UNK-7c9d1431-16
0.247
JOH-UNI-27ac80fd-5
0.247
AAR-POS-d2a4d1df-24
0.247
SAD-SAT-581007d4-2
0.247
MAK-UNK-748f8b7a-11
0.247
JOH-UNI-27ac80fd-1
0.247
MAK-UNK-849bee6c-12
0.245
BEN-VAN-c986b20b-5
0.245
MAR-TRE-dab8f6ea-40
0.245
PET-SGC-cb83a00c-1
0.244
GIA-UNK-30c7cb75-2
0.244
MAK-UNK-acefcb18-20
0.243
MAR-TRE-7f7bb9f0-80
0.243
LUI-IND-a1be81af-2
0.242
MAR-TRE-dab8f6ea-39
0.242
GIA-UNK-30c7cb75-5
0.242
MAR-TRE-be9ff7d2-16
0.242
MAK-UNK-212f693e-15
0.241
BEN-VAN-c986b20b-18
0.240
DAN-MCD-3ec20f87-1
0.240
MED-COV-4280ac29-25
0.240
BEN-VAN-c986b20b-3
0.240
JOH-UNI-27ac80fd-9
0.239
MAK-UNK-c97f7c8f-2
0.239
SAD-SAT-7d5528d9-1
0.238
NIM-UNI-310206f0-70
0.238
VIT-UNK-2a0afa28-3
0.237
JOH-UNI-27ac80fd-10
0.237
MAR-TRE-6a44bbf2-67
0.236
JOK-SYG-18591e8f-1
0.236
SAD-SAT-7d5528d9-2
0.235
SAD-SAT-7d5528d9-3
0.235
MAR-TRE-7f7bb9f0-29
0.235
JOH-ILL-da934517-1
0.235
GIA-UNK-5ec6c2b8-3
0.235
MAR-TRE-dab8f6ea-5
0.234
MAR-TRE-dab8f6ea-30
0.234
AGN-NEW-5f02c22c-1
0.234
MAR-TRE-fd17a9b8-36
0.234
GIA-UNK-eaadd1d4-3
0.233
MAK-UNK-7c9d1431-14
0.233
SAD-SAT-7d5528d9-6
0.233
JAN-GHE-fd8d85a5-12
0.233
SAD-SAT-581007d4-1
0.233
MAR-TRE-dab8f6ea-14
0.232
MAK-UNK-849bee6c-9
0.232
BEN-VAN-c986b20b-4
0.232
MAK-UNK-e4a48a85-5
0.232
KAD-UNI-877d7bed-10
0.232
PAU-UNI-8cdd41c7-1
0.232
DRR-IMP-38dce17f-6
0.232
MAK-UNK-9955b1f3-4
0.232
JUL-TUD-06b2044f-85
0.232
MAK-UNK-849bee6c-15
0.231
ROB-UNI-b2e39629-12
0.231
MAR-TRE-dab8f6ea-2
0.231
MED-COV-4280ac29-33
0.231