Molecular Properties | |
SMILES: | N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2C(=O)N(C(=O)Nc2cccc(Br)c2)c2cccnc2)C1 |
MW: | 514.424 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 117.42 |
cLogP: | 3.679 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter9_metal
Filter93_acetyl_urea
aryl bromide
MED-UNK-40f14d64-1
0.768
MED-UNK-8b115213-1
0.609
MED-UNK-55e26634-1
0.527
MED-UNK-cd1acb4a-1
0.518
MAR-TRE-b77b7921-97
0.427
MAR-TRE-74c6519b-91
0.336
SIM-SYN-a98e6a07-3
0.314
WIL-UNI-5578df48-38
0.305
MAR-TRE-f6f5f473-81
0.296
MAR-TRE-4f781e27-43
0.296
MIC-SGC-657978c3-5
0.295
SIM-SYN-a98e6a07-2
0.292
MAR-TRE-74c6519b-81
0.284
JOR-UNI-2fc98d0b-16
0.283
SIM-SYN-a98e6a07-1
0.282
MAR-TRE-04c86cea-40
0.282
MIC-SGC-657978c3-6
0.282
DAR-DIA-fc970077-9
0.282
JOR-UNI-61e7b1d5-30
0.280
JAG-UCB-ef2c0e8e-2
0.279
JOR-UNI-2fc98d0b-17
0.279
JOR-UNI-61e7b1d5-9
0.277
WIL-UNI-5578df48-39
0.276
JOR-UNI-61e7b1d5-20
0.276
JOR-UNI-2fc98d0b-8
0.276
JOR-UNI-61e7b1d5-18
0.274
JOR-UNI-61e7b1d5-21
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JOR-UNI-61e7b1d5-31
0.273
JOR-UNI-2fc98d0b-12
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JOR-UNI-61e7b1d5-5
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WIL-UNI-5578df48-17
0.270
DAR-DIA-43a5904b-2
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JOR-UNI-2fc98d0b-3
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WIL-UNI-5578df48-37
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JOR-UNI-61e7b1d5-19
0.267
WIL-UNI-5578df48-8
0.266
JOR-UNI-61e7b1d5-24
0.266
MAR-TRE-1c920f6f-44
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JOR-UNI-2fc98d0b-13
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LON-WEI-adc59df6-5
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WIL-UNI-5578df48-35
0.263
JOR-UNI-61e7b1d5-10
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ASH-UNK-40b46b30-9
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KEI-TRE-d5e2018a-85
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JOR-UNI-2fc98d0b-9
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JOR-UNI-61e7b1d5-25
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WIL-UNI-5578df48-6
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MAR-TRE-7f7bb9f0-33
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MAR-TRE-b77b7921-80
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MAR-TRE-b77b7921-71
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JOR-UNI-61e7b1d5-7
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JOR-UNI-61e7b1d5-22
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JOR-UNI-61e7b1d5-6
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JOR-UNI-61e7b1d5-11
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JOR-UNI-2fc98d0b-2
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JOR-UNI-2fc98d0b-14
0.254
WIL-UNI-5578df48-36
0.252
WIL-UNI-5578df48-30
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JOR-UNI-61e7b1d5-12
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DAR-DIA-fc970077-14
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BEN-BAS-e0d85f98-1
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JOR-UNI-2fc98d0b-15
0.250
JOR-UNI-61e7b1d5-14
0.250
BEN-DND-031a96cc-7
0.250
JOR-UNI-61e7b1d5-26
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JOR-UNI-2fc98d0b-4
0.248
JOR-UNI-2fc98d0b-5
0.248
TAM-UNI-c140e31a-14
0.248
MAR-TRE-9d18ae8c-34
0.248
MED-UNK-e6e8ef8a-2
0.248
FRA-FAC-9ed5a63a-2
0.248
EMI-TUK-a58865cc-1
0.246
MIC-SGC-657978c3-7
0.246
WIL-UNI-5578df48-5
0.246
JOR-UNI-61e7b1d5-23
0.244
MAK-UNK-b2c98f02-8
0.244
JOR-UNI-2fc98d0b-10
0.244
MAR-TRE-2fd8122f-30
0.244
MAR-TRE-9d18ae8c-16
0.244
MAR-TRE-4f781e27-2
0.244
NAU-LAT-64f4b287-10
0.243
MIC-SGC-657978c3-8
0.243
SAN-PRS-52b81272-1
0.243
WIL-UNI-5578df48-2
0.243
KAY-MCD-59dc2eb3-1
0.243
JOR-UNI-61e7b1d5-8
0.242
SAD-SAT-135344c3-9
0.242
MAR-TRE-3e4e6814-67
0.241
MAR-TRE-3e4e6814-62
0.241
EMI-TUK-a58865cc-7
0.241
WIL-UNI-5578df48-22
0.241
WIL-UNI-5578df48-7
0.241
MAR-TRE-2fd8122f-57
0.241
JOR-UNI-61e7b1d5-28
0.240
JOR-UNI-61e7b1d5-3
0.240
TAM-UNI-c140e31a-12
0.240
WIL-UNI-5578df48-23
0.240
WIL-UNI-5578df48-3
0.239
JOR-UNI-61e7b1d5-15
0.239
FRA-FAC-9ed5a63a-3
0.239