Molecular Properties | |
SMILES: | O=C(CCC1CCNCC1)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 |
MW: | 386.15 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 3.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9243659203 |
MolPort: | MolPort-045-585-106 |
MAR-TRE-f6f5f473-36
0.634
MAR-TRE-b77b7921-74
0.568
MAR-TRE-d0525fbf-77
0.554
MAR-TRE-f6f5f473-58
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MAR-TRE-3e4e6814-59
0.449
MAR-TRE-3e4e6814-67
0.448
MAR-TRE-74c6519b-90
0.417
MAR-TRE-74c6519b-85
0.409
MAR-TRE-74c6519b-69
0.378
ALE-HEI-f28a35b5-14
0.375
CHR-SOS-7098f804-11
0.372
AAR-POS-d2a4d1df-13
0.365
ALE-HEI-f28a35b5-9
0.365
FRA-FAC-9ed5a63a-1
0.365
MAR-TRE-7f7bb9f0-38
0.360
MAR-TRE-9c797165-48
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FRA-FAC-9ed5a63a-2
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MED-UNK-e6e8ef8a-2
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MED-UNK-e6e8ef8a-3
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MAR-TRE-3e4e6814-62
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CHR-SOS-7098f804-13
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WIL-UNI-1faa9b10-8
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MAR-TRE-2fd8122f-20
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CHR-SOS-7098f804-12
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MAK-UNK-ca11b4f7-1
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MAR-TRE-2fd8122f-52
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MAR-TRE-4b834d9a-77
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MAR-TRE-b77b7921-77
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SAD-SAT-24589cd1-4
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DAR-DIA-23aa0b97-16
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CHR-SOS-7098f804-14
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MAR-TRE-2fd8122f-7
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CHR-SOS-54d5cf3e-1
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MAK-UNK-a7b37c5e-4
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EDG-MED-0da5ad92-2
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DAR-DIA-842b4336-13
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MED-UNK-e6e8ef8a-5
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MAR-TRE-74c6519b-17
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MAR-TRE-2fd8122f-72
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MAR-TRE-7f7bb9f0-8
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MAR-TRE-7f7bb9f0-82
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MAR-TRE-67513f76-81
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JOH-IMS-62aeb97d-4
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MAK-UNK-a7b37c5e-5
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DAR-DIA-23aa0b97-17
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KEI-TRE-d5e2018a-44
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JOR-UNI-2fc98d0b-8
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MAR-TRE-2fd8122f-85
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MAR-TRE-2fd8122f-70
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MAR-TRE-7f7bb9f0-74
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MAR-TRE-04c86cea-31
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MAR-TRE-2fd8122f-25
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MED-UNK-e6e8ef8a-4
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MAR-TRE-7f7bb9f0-30
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MAK-UNK-a7b37c5e-1
0.333
JOH-IMS-62aeb97d-5
0.333
CHR-SOS-54d5cf3e-2
0.333
MAR-TRE-3e4e6814-49
0.330
MAR-TRE-b77b7921-80
0.330
MAR-TRE-b77b7921-97
0.330
CHR-SOS-7098f804-16
0.330
MAR-TRE-74c6519b-91
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MAR-TRE-2fd8122f-27
0.329
CHR-SOS-54d5cf3e-4
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KEI-TRE-d5e2018a-77
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MAR-TRE-b77b7921-53
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CHR-SOS-7098f804-15
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MAR-TRE-74c6519b-54
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MAR-TRE-67513f76-73
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MAR-TRE-7f7bb9f0-46
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MAK-UNK-a7b37c5e-2
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AUS-ARG-7cfdce8f-11
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ALB-THE-e2bfce8e-1
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MAR-TRE-9c797165-47
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CHR-SOS-54d5cf3e-3
0.324
WAR-XCH-e55cba98-10
0.324
KEI-TRE-d5e2018a-68
0.323
MAR-TRE-3e4e6814-81
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MAR-TRE-74c6519b-81
0.323
MAR-TRE-04c86cea-97
0.323
MAR-TRE-3e4e6814-50
0.323
MAK-UNK-d1e89583-4
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SAN-PRS-52b81272-2
0.321
KEI-TRE-d5e2018a-79
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MAR-TRE-d0525fbf-14
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MAR-TRE-2fd8122f-21
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MAR-TRE-3e4e6814-47
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MAR-TRE-7f7bb9f0-97
0.320
MAR-TRE-7f7bb9f0-56
0.319
JOR-UNI-2fc98d0b-12
0.317
MAR-TRE-7f7bb9f0-15
0.317
MAR-TRE-3e4e6814-100
0.317
KEI-TRE-d5e2018a-10
0.317
SAD-SAT-cefd50cc-6
0.317
MAR-TRE-7f7bb9f0-68
0.316
KEI-TRE-d5e2018a-89
0.316
MAR-TRE-2fd8122f-58
0.316
MAR-TRE-2fd8122f-57
0.315
ALE-HEI-f28a35b5-5
0.315
MED-UNK-e6e8ef8a-1
0.315