Molecular Properties | |
SMILES: | CSc1ncc(CN2CCC(CCC(=O)N3CCOCC3)CC2)cn1 |
MW: | 364.19 |
Fraction sp3: | 0.72 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 58.56 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2109880635 |
MolPort: | MolPort-005-083-020 |
MAR-TRE-dab8f6ea-37
0.729
MAR-TRE-dab8f6ea-26
0.658
MAR-TRE-dab8f6ea-45
0.308
MAR-TRE-f5c2d31c-53
0.306
MAR-TRE-dab8f6ea-47
0.298
MAR-TRE-dab8f6ea-13
0.284
MAK-UNK-f983951f-21
0.284
MAR-TRE-dab8f6ea-42
0.283
GIA-UNK-3f36037a-1
0.282
MAR-TRE-f5c2d31c-64
0.278
JOH-UNI-abdb2f0c-3
0.276
MAK-UNK-af83ef51-1
0.273
MAR-TRE-dab8f6ea-33
0.272
MAR-TRE-c317dd82-13
0.271
MAR-TRE-dab8f6ea-31
0.271
MAR-TRE-dab8f6ea-20
0.265
GIA-UNK-30c7cb75-2
0.262
PET-SGC-cb83a00c-1
0.261
DAR-DIA-fb20be43-18
0.260
MAK-UNK-212f693e-15
0.259
GIA-UNK-3f36037a-6
0.259
GIA-UNK-30c7cb75-5
0.258
MAR-TRE-8190bb11-7
0.258
TAM-UNI-d1c3dd9f-12
0.258
SAD-SAT-f25ee457-4
0.255
GIA-UNK-3f36037a-2
0.253
BEN-VAN-c986b20b-15
0.253
MAR-TRE-dab8f6ea-27
0.252
MAR-TRE-c317dd82-7
0.250
MAK-UNK-748f8b7a-11
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MAR-TRE-dab8f6ea-8
0.250
SAD-SAT-581007d4-2
0.250
MAR-TRE-dab8f6ea-16
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DAR-DIA-fb20be43-17
0.248
STU-CHA-6cae54d3-1
0.248
VIT-UNK-2a0afa28-1
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MAR-TRE-dab8f6ea-40
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MAK-UNK-10dfa458-8
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MAR-TRE-7f7bb9f0-80
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MAR-TRE-dab8f6ea-39
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GIA-UNK-d2defdc3-5
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MAR-TRE-be9ff7d2-16
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MAR-TRE-dab8f6ea-18
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MAR-TRE-3159af1a-45
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MAR-TRE-dab8f6ea-19
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MAK-UNK-7c9d1431-18
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DAR-DIA-fb20be43-16
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TAM-UNI-d1c3dd9f-1
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UNK-UNK-2ede4078-98
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MAR-TRE-7f7bb9f0-65
0.238
SAD-SAT-7d5528d9-3
0.238
MAR-TRE-7f7bb9f0-29
0.238
GIA-UNK-5ec6c2b8-3
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SCO-CSI-e30c12ee-1
0.237
GIA-UNK-eaadd1d4-3
0.236
MAR-TRE-fd17a9b8-36
0.236
SAD-SAT-581007d4-1
0.235
JAN-GHE-fd8d85a5-12
0.235
BEN-VAN-c986b20b-4
0.235
BEN-VAN-c986b20b-5
0.235
MAR-TRE-dab8f6ea-14
0.235
JOH-UNI-27ac80fd-1
0.235
KAD-UNI-877d7bed-10
0.234
MAR-TRE-dab8f6ea-2
0.234
MAK-UNK-acefcb18-20
0.233
LUI-IND-a1be81af-2
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MAK-UNK-212f693e-7
0.232
MAK-UNK-704ed37c-3
0.232
JON-UNI-2a110085-1
0.231
BEN-VAN-c986b20b-18
0.231
DAN-MCD-3ec20f87-1
0.230
MAK-UNK-be5ffcbc-4
0.230
PAT-GYR-359dbb24-1
0.230
MAR-TRE-c317dd82-81
0.229
BEN-VAN-c986b20b-2
0.229
MED-COV-4280ac29-25
0.229
BEN-VAN-c986b20b-3
0.229
MAR-TRE-dab8f6ea-24
0.229
MAK-UNK-c97f7c8f-2
0.228
JOH-UNI-27ac80fd-19
0.228
MAK-UNK-849bee6c-14
0.228
SAD-SAT-7d5528d9-1
0.228
MAK-UNK-e4a48a85-16
0.228
MAR-TRE-f5c2d31c-83
0.227
MAR-TRE-c317dd82-96
0.227
SIM-DEM-2843056b-1
0.226
VIT-UNK-2a0afa28-3
0.226
JOH-UNI-27ac80fd-7
0.226
PAT-GYR-359dbb24-3
0.226
SAD-SAT-7d5528d9-2
0.225
DUN-NEW-f8ce3686-13
0.225
MAR-TRE-dab8f6ea-5
0.225
MAK-UNK-6435e6c2-3
0.225
MAK-UNK-acefcb18-29
0.225
PAT-GYR-359dbb24-2
0.225
MAK-UNK-af83ef51-6
0.225
BEN-DND-93268d01-10
0.225
MAR-TRE-6a44bbf2-67
0.225
MAK-UNK-e4a48a85-20
0.224
JOH-UNI-27ac80fd-4
0.224