Molecular Properties | |
SMILES: | CC(O)NCCC1=C2C=C(F)C(C(CBr)CCNC(OOS(C)(O)c3ccc(N4CCNCC4)cc3)C(Cc3ccc(O)cc3)NC(C)O)=CC2N=C1 |
MW: | 820.3 |
Fraction sp3: | 0.5 |
HBA: | 12 |
HBD: | 8 |
Rotatable Bonds: | 20 |
TPSA: | 163.1 |
cLogP: | 4.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
gte_4_basic_N
non_ring_acetal
het-C-het not in ring
Oxygen-nitrogen single bond
Peroxides
Filter9_metal
Filter32_oo_bond
Filter75_alkyl_Br_I
43
Long aliphatic chain
Hetero_hetero
Alkyl Halide
peroxide
AAR-POS-5507155c-1
0.222
AAR-POS-f650c5f2-1
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MAK-UNK-10799360-26
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CHA-KIN-45d1307a-2
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MAR-TRE-e86a56b5-81
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CHA-KIN-45d1307a-3
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NIM-UNI-ed9fc491-4
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MAK-UNK-c44f4be0-7
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NIC-BIO-a68395b7-1
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VOL-CHA-d666e5ae-4
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CHA-KIN-45d1307a-1
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NIM-UNI-ed9fc491-3
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AAR-UNI-c25c2f1e-47
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MAR-TRE-85681e92-70
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MAK-UNK-b7886382-2
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SEL-UNI-49ab05bd-6
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CHA-KIN-7308df58-2
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MAR-TRE-e86a56b5-21
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MAR-TRE-e86a56b5-37
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ALP-POS-bad7201a-2
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MAK-UNK-be5ffcbc-6
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NIM-UNI-ed9fc491-1
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CHA-KIN-7308df58-1
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PAU-WEI-b9b69149-9
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SHA-THE-408e7524-23
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MAR-TRE-e86a56b5-98
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VOL-CHA-d666e5ae-3
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MAR-TRE-e86a56b5-28
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NIM-UNI-ed9fc491-2
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ALP-POS-bad7201a-12
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DAR-DIA-9e4459de-5
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PAU-WEI-b9b69149-8
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JAN-LUN-04aedcc0-1
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TRY-UNI-9f475305-10
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MAK-UNK-a7992eb3-30
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MAR-TRE-85681e92-51
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WAR-XCH-b6889685-64
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ALI-UNA-2b043f64-1
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MAK-UNK-ec98eaf6-56
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VOL-CHA-d666e5ae-2
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PAU-WEI-b9b69149-7
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CHA-KIN-bfe9b535-2
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ERI-UCB-b3e6b0c2-4
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DAV-CRI-25b90884-4
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MAK-UNK-c44f4be0-4
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CHA-KIN-bfe9b535-8
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NIC-UNK-21c5e845-3
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MAR-TRE-e86a56b5-63
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DAR-DIA-9e4459de-3
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CHA-KIN-bfe9b535-7
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MAK-UNK-8be7dca9-4
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CHA-KIN-bfe9b535-4
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DAV-CRI-25b90884-1
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CHA-KIN-bfe9b535-3
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ALP-POS-a3de0cb1-13
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MAR-TRE-e86a56b5-31
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NIC-BIO-a68395b7-5
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MAK-UNK-c44f4be0-10
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DAR-DIA-9e4459de-4
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CHA-KIN-7308df58-3
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CHA-KIN-bfe9b535-9
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ALP-POS-e980f4ea-5
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MAK-MCD-2210d2de-1
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WAR-XCH-b72a1bbc-45
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MAK-UNK-c44f4be0-8
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MAR-TRE-fd17a9b8-92
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MAR-TRE-e86a56b5-45
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MAR-TRE-e86a56b5-15
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WAR-XCH-b72a1bbc-48
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MAR-TRE-4f39ef4a-25
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MAK-UNK-ec98eaf6-54
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MAK-UNK-8fdbca50-15
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LON-WEI-1908424e-10
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CHA-KIN-bfe9b535-5
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CHA-KIN-87c379ac-1
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CHA-KIN-87c379ac-2
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ALP-POS-bad7201a-8
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ED_-GRI-5b13fbe2-27
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MAR-LAB-ff9967db-2
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ALP-POS-b0bc6a46-28
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ALP-POS-02c6a514-47
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EMM-WAB-d4a2a334-1
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WAR-XCH-b6889685-40
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NIC-BIO-a68395b7-4
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VOL-CHA-d666e5ae-1
0.166
WAR-XCH-b6889685-21
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WAR-XCH-b6889685-48
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AAR-POS-d2a4d1df-16
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MAR-TRE-e86a56b5-57
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VOL-CHA-d666e5ae-5
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