Molecular Properties | |
SMILES: | O=C(O)c1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)O)c1 |
MW: | 301.1 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 103.7 |
cLogP: | 1.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
isolated alkene
too many COOH groups (>1)
WEI-UNI-64684f14-4
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LON-WEI-120e5cf5-19
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MAK-UNK-90d0606b-8
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JOO-IND-6372a4f3-1
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JAG-UCB-ef2c0e8e-2
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MAK-UNK-c8c8f7e2-27
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AAR-UNI-c25c2f1e-30
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AAR-POS-d2a4d1df-38
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AAR-UNI-c25c2f1e-75
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MAK-UNK-1e8f9e3c-3
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MAK-UNK-9159f8ed-6
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MAK-UNK-1e8f9e3c-1
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JOO-IND-6372a4f3-3
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MAK-UNK-c8c8f7e2-24
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MAK-UNK-c8c8f7e2-22
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MEL-NAT-8c3652c8-5
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JAN-LUN-8953ce76-7
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JAN-LUN-8953ce76-1
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JAN-LUN-3e0f9c09-4
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JAN-LUN-3e0f9c09-1
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JAN-LUN-8953ce76-6
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AAR-UNI-c25c2f1e-2
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JOH-UNI-c7afdb96-8
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MAK-UNK-6435e6c2-7
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AAR-POS-0daf6b7e-31
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MAR-TRE-f6f5f473-84
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MAK-UNK-9159f8ed-5
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RAL-MED-2de63afb-9
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JAG-UCB-ef2c0e8e-10
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DAN-MCD-0742953f-1
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EMI-TUK-a58865cc-3
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MAR-TRE-799db12b-39
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JOH-UNI-c7afdb96-7
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MAK-UNK-7a704a63-13
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MAK-UNK-c8c8f7e2-43
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SAD-SAT-24589cd1-2
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WIL-UNI-1faa9b10-46
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AAR-UNI-c25c2f1e-93
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FAR-UNI-736b943a-7
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MAK-UNK-c8c8f7e2-16
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NAU-LAT-64f4b287-8
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AAR-POS-fca48359-9
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MAK-UNK-5d2caa6f-19
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MAK-UNK-9159f8ed-2
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LON-WEI-120e5cf5-2
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MAK-UNK-129dcd6f-9
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MAK-UNK-10dfa458-22
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MAR-TRE-8190bb11-28
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LON-WEI-8f408cad-1
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MAK-UNK-7a704a63-10
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AAR-POS-0daf6b7e-11
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MAK-UNK-7a704a63-9
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RAL-MED-2de63afb-11
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DAR-DIA-0cde14eb-35
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CHR-SOS-7098f804-8
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RAL-MED-2de63afb-6
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MAK-UNK-9159f8ed-1
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JAG-SYN-9c2cd0bd-9
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JAG-SYN-9c2cd0bd-4
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