Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)C1CC2CC1CN2C(=O)C(Cl)c1cccnc1 |
MW: | 369.12 |
Fraction sp3: | 0.35 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
secondary_halide_sulfate
Filter6_benzyl_halide
MED-COV-4280ac29-15
MAK-UNK-10799360-24
0.655
MAK-UNK-5d2caa6f-20
0.538
BEN-DND-031a96cc-2
0.512
MAK-UNK-5d2caa6f-1
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MAK-UNK-5d2caa6f-16
0.407
MAK-UNK-3e0761f8-1
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MAK-UNK-90d0606b-8
0.372
BEN-DND-031a96cc-1
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BEN-DND-031a96cc-6
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MAK-UNK-90d0606b-10
0.354
MAK-UNK-5d2caa6f-17
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MAR-TRE-74c6519b-51
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AAR-POS-d2a4d1df-11
0.346
MAK-UNK-90d0606b-9
0.344
MAK-UNK-3e0761f8-5
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BEN-DND-031a96cc-3
0.344
MAK-UNK-3f402c2b-19
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MAK-UNK-90d0606b-2
0.340
MAK-UNK-5d2caa6f-19
0.340
MAK-UNK-5d2caa6f-22
0.337
MAK-UNK-5d2caa6f-14
0.333
MAR-TRE-2fd8122f-16
0.330
MAK-UNK-5d2caa6f-21
0.330
MAK-UNK-5d2caa6f-13
0.324
MAR-TRE-04c86cea-46
0.316
MAR-TRE-9c797165-80
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BEN-DND-031a96cc-8
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LON-WEI-120e5cf5-11
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MAK-UNK-5d2caa6f-18
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MAR-TRE-3e4e6814-54
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WIL-UNI-5578df48-6
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AUS-ARG-7cfdce8f-11
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ADA-UNI-f8e79267-5
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MAR-TRE-2fd8122f-50
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MAR-TRE-2fd8122f-90
0.299
MAK-UNK-5d2caa6f-15
0.298
SAN-PRS-52b81272-2
0.298
MAK-UNK-009ebe36-8
0.297
DAV-CRI-1c77f7a9-6
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LON-WEI-120e5cf5-15
0.295
MAR-TRE-6a44bbf2-86
0.295
RAL-MED-9a5eb9cb-9
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ADA-UNI-f8e79267-4
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WIL-UNI-5578df48-7
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DAR-DIA-842b4336-7
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MAR-TRE-67513f76-20
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ALP-POS-02c6a514-56
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MAR-TRE-74c6519b-47
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SAD-SAT-2fd372d1-7
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MAR-TRE-9c797165-8
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DAR-DIA-fc970077-9
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THO-SYG-f9b2970d-2
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MAK-UNK-ec98eaf6-5
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ALP-POS-780445ae-8
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ADA-UNI-f8e79267-2
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BEN-DND-031a96cc-7
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MAR-TRE-04c86cea-17
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WIL-UNI-5578df48-5
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MAK-UNK-c749d764-13
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MAR-TRE-f6f5f473-84
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ADA-UNI-f8e79267-1
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MAR-TRE-2fd8122f-13
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WIL-UNI-5578df48-8
0.283
MAR-TRE-67513f76-81
0.282
THO-SYG-f9b2970d-1
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PET-SGC-d0156db4-1
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DRE-WAB-ae4a693c-1
0.281
BEN-DND-362d364a-12
0.281
PET-SGC-b0f8bd49-1
0.281
MAK-UNK-a7b37c5e-1
0.281
JOH-IMS-62aeb97d-3
0.281
MAR-TRE-2fd8122f-44
0.280
FRA-FAC-9ed5a63a-4
0.280
MAR-TRE-d0525fbf-91
0.280
MAK-UNK-5d2caa6f-11
0.279
LON-WEI-b2874fec-25
0.279
MAR-TRE-f6f5f473-31
0.279
CHR-SOS-7098f804-13
0.278
MED-UNK-e6e8ef8a-1
0.278
DAR-DIA-842b4336-8
0.278
JAN-GHE-76def03c-2
0.278
BAR-COM-5694a99d-1
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CHR-SOS-f7373dd1-4
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MAK-UNK-3e0761f8-8
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DAR-DIA-fc970077-14
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WIL-UNI-5578df48-3
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MAK-UNK-a7b37c5e-4
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MAR-TRE-2fd8122f-27
0.276
THO-SYG-f9b2970d-6
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MAK-UNK-3e0761f8-3
0.275
MAK-UNK-a7b37c5e-2
0.275
JAG-SYN-9c2cd0bd-7
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MAR-TRE-9c797165-46
0.275
MAR-TRE-2fd8122f-7
0.275
SAD-SAT-689b7d5a-4
0.274
MAR-TRE-04c86cea-86
0.274
MAR-TRE-7f7bb9f0-15
0.274
MIK-MCD-9143301b-1
0.273
SWA-SYN-59528602-3
0.273
SIM-SYN-a98e6a07-2
0.273