Molecular Properties | |
SMILES: | O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cc(Cl)ccc1N1CCCCC1 |
MW: | 396.14 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 78.09 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
UNK-UNK-2ede4078-70
0.517
UNK-UNK-2ede4078-83
0.463
UNK-UNK-2ede4078-33
0.364
MAT-POS-bb423b95-6
0.303
JOH-UNI-6fede743-3
0.303
JIN-POS-6dc588a4-19
0.303
KRI-MAR-d2e3ef86-12
0.302
MIC-UNK-d935700b-2
0.294
UNK-UNK-2ede4078-28
0.292
EDJ-MED-c8e7a002-11
0.277
UNK-UNK-2ede4078-31
0.277
NAU-LAT-a5c7d7cb-10
0.277
WEI-UNI-64684f14-3
0.276
ALP-POS-d7944b10-12
0.274
UNK-UNK-2ede4078-92
0.271
UNK-UNK-2ede4078-1
0.271
PET-UNK-dd44aeb6-1
0.269
RAL-THA-2d450e86-25
0.269
DAR-DIA-bd041b9b-2
0.267
DAR-DIA-bd041b9b-27
0.267
UNK-UNK-2ede4078-63
0.265
DAR-DIA-bd041b9b-3
0.264
JUL-TUD-06b2044f-141
0.263
MAT-POS-044491d2-5
0.263
KAD-UNI-cb0f2bbc-4
0.262
MAT-POS-173a45da-2
0.260
DAR-DIA-ecdbc7dd-12
0.260
DAR-DIA-bd041b9b-8
0.259
MIC-UNK-45817b9b-2
0.259
RAL-THA-8416115c-13
0.258
RAL-THA-2d450e86-27
0.257
DAR-DIA-bd041b9b-9
0.255
BEN-DND-61647d40-18
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MIC-UNK-d935700b-1
0.255
JIN-POS-6dc588a4-5
0.255
JIN-POS-6dc588a4-23
0.255
TAT-ENA-80bfd3e5-37
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MAT-POS-fa06b69f-9
0.255
MAR-UCB-6ab2ec87-6
0.254
DAR-DIA-bd041b9b-32
0.254
VLA-UCB-00f2c2b3-7
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ALP-POS-f13221e1-2
0.252
ALP-POS-d7944b10-2
0.252
DAR-DIA-bd041b9b-6
0.252
RUB-POS-1325a9ea-17
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RAL-THA-8416115c-7
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MAT-POS-3b92565d-7
0.250
MAT-POS-4211dce8-1
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ALP-POS-fab80cf2-1
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ALP-POS-d7944b10-8
0.248
ALP-POS-d054b76b-1
0.248
UNK-UNK-2ede4078-20
0.248
RUB-POS-1325a9ea-13
0.248
ROB-UNI-daaf9793-1
0.248
RUB-POS-1325a9ea-12
0.248
MAT-POS-e1b5ac6b-1
0.248
LEE-CAM-7ab9b158-4
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MIC-UNK-37660950-4
0.246
JOH-UNI-6b98e24c-2
0.246
RAL-THA-4aa06b95-1
0.246
MAR-TRE-3159af1a-46
0.246
UNK-UNK-2ede4078-10
0.246
JOH-UNI-6fede743-1
0.245
RAL-THA-2d450e86-24
0.245
JIN-POS-6dc588a4-24
0.245
PET-UNK-dd44aeb6-2
0.245
RAL-THA-8416115c-6
0.244
DAR-DIA-ecdbc7dd-8
0.244
DAR-DIA-ecdbc7dd-11
0.244
RAL-THA-8416115c-10
0.244
DAR-DIA-bd041b9b-5
0.244
ALP-POS-d7944b10-14
0.244
ALP-POS-a3de0cb1-16
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MIC-UNK-cdc2493e-13
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RAL-THA-4aa06b95-6
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RAL-THA-8416115c-3
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RAI-NOV-2f6a9876-1
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MAT-POS-3b92565d-9
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PET-UNK-3c72d439-1
0.243
RAL-THA-2d450e86-6
0.243
DAR-DIA-bd041b9b-33
0.243
RAL-THA-8416115c-14
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DAR-DIA-0d514e7d-23
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RAL-THA-4aa06b95-7
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DAR-DIA-bd041b9b-4
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RAL-THA-065e0743-2
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EDJ-MED-7320d5d2-1
0.242
MAT-POS-3b92565d-3
0.242
ALP-POS-3b848b35-2
0.242
ALP-POS-d7944b10-17
0.242
JOH-UNI-f51e3bbc-1
0.241
KAD-UNI-b13decd3-2
0.241
EDJ-MED-d1cd9639-1
0.241
MIC-UNK-644c43c7-3
0.241
EDJ-MED-ba7e64f2-2
0.241
MAR-UCB-6ab2ec87-7
0.241
MAT-POS-3b92565d-4
0.241
MAT-POS-e1b5ac6b-2
0.241
DAR-DIA-bd041b9b-23
0.241
ADA-UCB-6c2cb422-1
0.240