Molecular Properties | |
SMILES: | Cc1ncc2c(n1)C1(CCCN(CC(=O)N3CCOCC3)C1)CC2 |
MW: | 330.21 |
Fraction sp3: | 0.72 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 58.56 |
cLogP: | 0.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3027978332 |
MolPort: | MolPort-046-578-526 |
MAR-TRE-dab8f6ea-18
0.734
MAR-TRE-dab8f6ea-16
0.728
MAR-TRE-dab8f6ea-5
0.667
MAR-TRE-dab8f6ea-46
0.480
MAR-TRE-dab8f6ea-33
0.321
MAR-TRE-7f7bb9f0-29
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MAR-TRE-c317dd82-13
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MAR-TRE-7f7bb9f0-65
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MAR-TRE-dab8f6ea-26
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MAR-TRE-dab8f6ea-42
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MAR-TRE-f5c2d31c-64
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MAR-TRE-c317dd82-7
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MAR-TRE-dab8f6ea-41
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MAR-TRE-c317dd82-45
0.264
MAR-TRE-dab8f6ea-37
0.262
ROB-UNI-b2e39629-12
0.259
MAR-TRE-f5c2d31c-53
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BEN-DND-93268d01-10
0.255
MAK-UNK-748f8b7a-11
0.253
DUN-NEW-f8ce3686-13
0.252
MAK-UNK-f983951f-21
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DAV-UNK-d94803a2-1
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MAR-TRE-dab8f6ea-12
0.243
ROB-UNI-b2e39629-11
0.243
MAR-TRE-dab8f6ea-45
0.243
GIA-UNK-3f36037a-2
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JOH-UNI-27ac80fd-2
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DAR-DIA-fb20be43-18
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GIA-UNK-3f36037a-1
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MAR-TRE-dab8f6ea-40
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PET-SGC-cb83a00c-1
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MAR-TRE-dab8f6ea-47
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MAR-TRE-8190bb11-7
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AAR-POS-d2a4d1df-21
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GIA-UNK-3f36037a-6
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DAN-MCD-3ec20f87-1
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MAR-TRE-c317dd82-96
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MAR-TRE-9c797165-3
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PAT-GYR-359dbb24-3
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PAT-GYR-de8eec61-4
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MAR-TRE-dab8f6ea-15
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PAT-GYR-359dbb24-2
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MAK-UNK-0b1cbb06-1
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JOH-UNI-27ac80fd-4
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DAR-DIA-fb20be43-17
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PAT-GYR-359dbb24-5
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JOR-UNI-2fc98d0b-9
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GIA-UNK-d2defdc3-6
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MAR-TRE-9c797165-69
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MAR-TRE-7f7bb9f0-80
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JOR-UNI-61e7b1d5-11
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JOH-UNI-27ac80fd-1
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PAT-GYR-359dbb24-4
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JOH-UNI-abdb2f0c-3
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LUI-IND-a1be81af-2
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SIM-DEM-163f01e0-1
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MAR-TRE-dab8f6ea-11
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GIA-UNK-30c7cb75-5
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PAT-GYR-de8eec61-5
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PAT-GYR-de8eec61-7
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MAR-TRE-dab8f6ea-19
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MAR-TRE-dab8f6ea-49
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JOH-IMS-cc7b4c67-8
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MAR-TRE-0fda4e82-37
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PAT-GYR-359dbb24-1
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PET-SGC-276eba5a-1
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JOH-UNI-27ac80fd-9
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SAD-SAT-7d5528d9-3
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SCO-CSI-e56d7cb6-1
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MAR-LAB-ca4662a6-5
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MAK-UNK-7264f48c-6
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MAR-TRE-9c797165-61
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MAR-TRE-dab8f6ea-25
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MAK-UNK-af83ef51-30
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MAT-POS-ea426761-43
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JOR-UNI-61e7b1d5-4
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MAR-TRE-dab8f6ea-29
0.214
MAK-UNK-7264f48c-3
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MAR-TRE-9c797165-40
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PAT-GYR-de8eec61-3
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MAR-TRE-dab8f6ea-13
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MAR-TRE-dab8f6ea-31
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MAK-UNK-f983951f-6
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JOR-UNI-2fc98d0b-1
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MAR-TRE-3e4e6814-16
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MAK-UNK-9955b1f3-1
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MAR-TRE-67513f76-86
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MAK-UNK-c97f7c8f-1
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NIM-UNI-310206f0-7
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GIA-UNK-d2defdc3-5
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BEN-DND-6de5dfa0-6
0.212
MAR-TRE-f5c2d31c-68
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ALP-POS-780445ae-1
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SAD-SAT-f25ee457-9
0.211
GIA-UNK-30c7cb75-2
0.211
MAR-TRE-67513f76-19
0.211
MAR-TRE-dab8f6ea-35
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MAR-TRE-c8530538-2
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MAR-TRE-3e4e6814-25
0.210
MAR-TRE-be9ff7d2-16
0.210