Molecular Properties | |
SMILES: | O=C1CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2cncc3ccc(cc23)CCCCN1 |
MW: | 448.17 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 0 |
TPSA: | 74.33 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-1889d436-1
0.892
MAT-UNK-ff8c4e54-1
0.679
MAT-UNK-38d3ea22-1
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MAT-UNK-2f7e45db-1
0.513
MAT-NA_-7dc3e0f8-1
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MAT-UNK-12b5acf5-1
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RAM-THI-7078c165-1
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RAM-THI-7078c165-2
0.333
ALF-EVA-0e90125c-1
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MAT-UNK-88dc5cbd-1
0.295
MAT-POS-4223bc15-30
0.294
EDJ-MED-487c5e9f-5
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MAT-UNK-673d6610-1
0.294
YVE-CNR-132fc2df-1
0.291
MAT-UNK-1d9ee2ed-1
0.290
ALF-EVA-07677224-10
0.290
RAL-THA-952697e1-3
0.287
RAL-THA-952697e1-4
0.287
MAT-POS-777f5926-2
0.287
EDJ-MED-12c4873b-5
0.287
MAT-UNK-0990acaa-1
0.284
ALF-EVA-0e90125c-3
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MAT-POS-a9372f04-1
0.280
BEN-DND-d1eb1f41-8
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RAL-THA-952697e1-2
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EDJ-MED-12c4873b-7
0.279
RAL-THA-952697e1-1
0.279
XIA-UNK-e3342273-1
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ALF-EVA-07677224-6
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MAT-POS-4223bc15-1
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MAT-POS-4223bc15-3
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EDJ-MED-8bb691af-5
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MAT-POS-5cd9ea36-4
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ALP-POS-d054b76b-2
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DAR-DIA-5e50e037-1
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ALP-POS-e0fe77e5-13
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MAT-POS-4223bc15-2
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DAR-DIA-6be260fc-2
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MAT-POS-5cd9ea36-20
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MAT-POS-dd3ad2b5-4
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MAT-POS-24589f88-2
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YVE-CNR-7d92d73e-1
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EDJ-MED-b774e9fe-2
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EDJ-MED-2791eece-6
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MAT-POS-24589f88-3
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BRU-THA-d60fe444-1
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PET-UNK-615ad708-5
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PET-UNK-ff046148-1
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PET-UNK-615ad708-2
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ALF-EVA-07677224-9
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DAR-DIA-6be260fc-5
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EDJ-MED-1981ceba-2
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MAT-POS-4223bc15-22
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EDJ-MED-1981ceba-3
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BEN-DND-d1eb1f41-9
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MAT-POS-be048f2c-3
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MAT-POS-4223bc15-21
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MAT-POS-4223bc15-25
0.267
EDJ-MED-c40d95bc-2
0.267
PET-UNK-f4e47ebd-9
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MAT-POS-4223bc15-15
0.267
MAT-POS-4223bc15-7
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LUO-POS-ed2cfb03-2
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EDJ-MED-487c5e9f-8
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BEN-DND-32596b04-1
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MAT-POS-5cd9ea36-9
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MAT-POS-4223bc15-40
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MAT-POS-dc2604c4-2
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MAT-POS-be048f2c-2
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BEN-DND-f2e727cd-6
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MAT-POS-dd3ad2b5-1
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FRA-DIA-6238d354-2
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EDJ-MED-e9a22d5d-1
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EDJ-MED-2791eece-8
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EDJ-MED-b774e9fe-3
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MAT-POS-4223bc15-29
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MIC-UNK-89b52b17-4
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EDJ-MED-fa7708b3-1
0.265
RAL-THA-ee48ba5f-1
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PET-UNK-d61f3ea6-1
0.265
DAR-DIA-d8bd013f-1
0.265
DAR-DIA-d8bd013f-3
0.265
EDJ-MED-12c4873b-1
0.265
MAT-UNK-35705829-1
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MAT-POS-5cd9ea36-14
0.265
EDJ-MED-7587a9ee-4
0.265
PET-UNK-7e9559de-3
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PET-UNK-7e9559de-6
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EDJ-MED-378a25ea-20
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MAT-POS-4223bc15-26
0.263
MAT-POS-4223bc15-23
0.263
MAT-POS-8293a91a-4
0.263
DAR-DIA-4987d2cd-4
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MAT-POS-8293a91a-5
0.263
MAT-POS-4223bc15-27
0.263
EDJ-MED-2791eece-11
0.263
MIC-UNK-482af05e-2
0.263
MAT-POS-4223bc15-32
0.263
MAT-UNK-f490e871-1
0.263
JOH-UNI-ededfdb6-1
0.263