Molecular Properties | |
SMILES: | CCc1nccc(CN2CCC(C(=O)N3CCOCC3)CC2)n1 |
MW: | 318.21 |
Fraction sp3: | 0.71 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 58.56 |
cLogP: | 1.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6732367304 |
MolPort: | MolPort-035-380-653 |
MAR-TRE-dab8f6ea-6
0.461
GIA-UNK-30c7cb75-2
0.438
MAR-TRE-dab8f6ea-40
0.402
GIA-UNK-eaadd1d4-3
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MAR-TRE-dab8f6ea-13
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MAR-TRE-dab8f6ea-27
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MAR-TRE-dab8f6ea-14
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MAR-TRE-dab8f6ea-39
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MAR-TRE-dab8f6ea-30
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GIA-UNK-30c7cb75-5
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MAR-TRE-dab8f6ea-25
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MAR-TRE-dab8f6ea-7
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MAR-TRE-dab8f6ea-12
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MAR-TRE-dab8f6ea-47
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MAR-TRE-dab8f6ea-41
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MAR-TRE-dab8f6ea-37
0.304
MAR-TRE-dab8f6ea-8
0.288
GIA-UNK-30c7cb75-1
0.287
SAD-SAT-f25ee457-4
0.283
MAK-UNK-704ed37c-3
0.282
GIA-UNK-30c7cb75-3
0.280
MAR-TRE-dab8f6ea-19
0.280
PET-SGC-cb83a00c-1
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GIA-UNK-eaadd1d4-1
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MAR-TRE-be9ff7d2-16
0.276
MAR-TRE-dab8f6ea-26
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JAN-GHE-1d98ec1c-5
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MAR-TRE-dab8f6ea-31
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MAR-TRE-dab8f6ea-42
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DAN-MCD-3ec20f87-1
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GIA-UNK-d2defdc3-6
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MAR-TRE-dab8f6ea-11
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SAD-SAT-9a6c5cf3-1
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JAN-GHE-fd8d85a5-12
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SAD-SAT-f2e2579e-7
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SAD-SAT-9a6c5cf3-4
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MAR-TRE-8190bb11-7
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AAR-POS-fca48359-5
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MAK-UNK-c97f7c8f-2
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SAD-SAT-9a6c5cf3-2
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JON-CHE-41f76505-2
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MAT-POS-b5746674-14
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ALP-POS-0c0a3b93-1
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SAD-SAT-f2e2579e-2
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MAK-UNK-750cfbcc-3
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MAR-TRE-6a44bbf2-79
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MAR-TRE-f5c2d31c-48
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MAR-TRE-7f7bb9f0-29
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DAR-DIA-fb20be43-17
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DAR-DIA-fb20be43-18
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ROM-UNK-ef52a3c9-3
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TAM-UNI-d1c3dd9f-21
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LON-WEI-120e5cf5-8
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MAR-TRE-fd17a9b8-36
0.250
MAR-TRE-dab8f6ea-16
0.250
AGN-NEW-c197b967-1
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SAD-SAT-f2e2579e-1
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SAD-SAT-9a6c5cf3-6
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MAR-TRE-7f7bb9f0-80
0.248
GIA-UNK-d2defdc3-5
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MAK-UNK-212f693e-15
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MAK-UNK-750cfbcc-5
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VIR-GIT-7b3d3065-2
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AAR-POS-0daf6b7e-9
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DRA-CSI-0a78d9ba-13
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MAR-TRE-c317dd82-81
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SAD-SAT-b55127ae-7
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BEN-VAN-c986b20b-10
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MAR-TRE-c317dd82-96
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DRR-IMP-38dce17f-5
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MAR-TRE-dab8f6ea-20
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BEN-DND-93268d01-10
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MAR-TRE-6a44bbf2-66
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MAK-UNK-750cfbcc-4
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GIA-UNK-3f36037a-2
0.241
ALP-POS-84f19ead-2
0.241
GIA-UNK-5ec6c2b8-3
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MAK-UNK-6435e6c2-2
0.241
TAM-UNI-d1c3dd9f-1
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DAR-DIA-fb20be43-16
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HEI-REL-0c990a45-4
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KEI-TRE-fa9ada3e-9
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MAR-TRE-dab8f6ea-29
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SAD-SAT-9a6c5cf3-3
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MAT-POS-ea426761-91
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MAR-TRE-dab8f6ea-33
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SAD-SAT-f2e2579e-8
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MAK-UNK-be3f299e-5
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MAK-UNK-748f8b7a-11
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GIA-UNK-3f36037a-1
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MAR-TRE-4f781e27-67
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BEN-VAN-c986b20b-5
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SAD-SAT-f2e2579e-10
0.237
JOH-UNI-abdb2f0c-3
0.236
SAD-SAT-f2e2579e-9
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MAR-TRE-be9ff7d2-79
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JAR-IMP-ed466bb3-20
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MAR-TRE-f5c2d31c-53
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MAR-TRE-dab8f6ea-18
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AAR-POS-d2a4d1df-21
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