Molecular Properties | |
SMILES: | CC(=O)NCc1ccc(C(=O)N(c2ccccc2)c2cccnc2)[nH]1 |
MW: | 334.379 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 78.09 |
cLogP: | 3.0243 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-4
WIL-UNI-5578df48-6
0.405
WIL-UNI-5578df48-7
0.354
IAN-BAS-5ff43d1c-1
0.352
WIL-UNI-5578df48-2
0.351
WIL-UNI-5578df48-5
0.341
WIL-UNI-5578df48-34
0.337
DAR-DIA-fc970077-14
0.333
DAR-DIA-fc970077-9
0.333
MAK-UNK-f0bfc2e0-1
0.326
WIL-UNI-5578df48-1
0.325
EMI-TUK-a58865cc-2
0.311
IAN-BAS-a5a0ad12-1
0.306
MIC-SGC-657978c3-5
0.300
WIL-UNI-5578df48-4
0.299
MIC-SGC-657978c3-6
0.299
WIL-UNI-5578df48-8
0.294
EMI-TUK-a58865cc-1
0.293
KEI-TRE-d5e2018a-81
0.292
EMI-TUK-a58865cc-3
0.292
NAU-LAT-64f4b287-9
0.291
BEN-BAS-589c65df-1
0.287
RAL-MED-2de63afb-12
0.284
PRA-FNM-52fd7fdf-1
0.283
BEN-BAS-d50bea19-1
0.283
EMI-TUK-a58865cc-5
0.281
MIC-SGC-657978c3-7
0.281
MIC-SGC-657978c3-8
0.279
ASH-UNK-40b46b30-3
0.278
EMI-TUK-a58865cc-7
0.275
WIL-UNI-5578df48-3
0.273
EMI-TUK-a58865cc-6
0.272
MAR-TRE-c8530538-92
0.270
MIC-SGC-657978c3-4
0.269
SIM-SYN-a98e6a07-2
0.269
EMI-TUK-a58865cc-4
0.269
EMI-TUK-b780fc43-2
0.268
MAR-TRE-b77b7921-46
0.267
ALP-POS-e980f4ea-28
0.266
AAR-POS-d2a4d1df-11
0.260
ASH-UNK-40b46b30-7
0.260
CHA-MCP-85291e1d-7
0.258
MAK-UNK-0955449e-29
0.258
SAD-SAT-689b7d5a-4
0.256
DUN-NEW-f8ce3686-9
0.255
WIL-UNI-5578df48-37
0.255
AUS-ARG-7cfdce8f-11
0.253
MAK-UNK-129dcd6f-6
0.253
SAM-UNK-2684b532-2
0.253
NIC-BIO-3276ca7f-4
0.253
WIL-UNI-5578df48-39
0.252
PRA-FNM-00b4ace8-1
0.252
ALP-POS-780445ae-5
0.252
MIC-SGC-657978c3-3
0.250
JAV-UNI-4503e1e6-1
0.250
ALE-HEI-f28a35b5-15
0.250
TAM-UNI-c140e31a-3
0.250
MIC-SGC-657978c3-2
0.250
BRU-THA-92256091-8
0.250
BAR-COM-5694a99d-2
0.250
TAT-ENA-80bfd3e5-46
0.248
MAR-TRE-b77b7921-25
0.248
MAR-TRE-fd17a9b8-80
0.248
IAN-BAS-0ac8c25d-1
0.248
BEN-BAS-3b12fa42-1
0.248
WIL-UNI-5578df48-36
0.248
MAR-TRE-4b834d9a-16
0.247
BAR-COM-21d20d65-5
0.247
ANT-DIA-045cfdc4-5
0.247
KEI-TRE-d5e2018a-7
0.247
BEN-BAS-edf2ae6d-1
0.247
MIC-SGC-657978c3-1
0.247
SAN-PRS-52b81272-2
0.247
ANT-DIA-b7f58f21-4
0.247
MAK-UNK-2c1752f0-2
0.247
MED-UNK-cd1acb4a-1
0.246
MAR-TRE-b77b7921-45
0.245
LON-WEI-adc59df6-40
0.245
MAR-TRE-fd17a9b8-69
0.245
MAK-UNK-129dcd6f-1
0.245
ASH-UNK-40b46b30-9
0.245
MAR-TRE-67513f76-81
0.243
ALP-POS-02c6a514-57
0.243
DAV-CRI-1c77f7a9-1
0.243
MAK-UNK-009ebe36-8
0.242
BAR-COM-4e090d3a-51
0.242
KEI-TRE-d5e2018a-45
0.242
ANT-DIA-3c79be55-2
0.241
DAR-DIA-842b4336-16
0.241
RUT-UNI-630c5802-2
0.241
SIM-SYN-a98e6a07-4
0.241
BAR-COM-4e090d3a-47
0.240
MAR-TRE-f6f5f473-34
0.240
BEN-BAS-ec4a2f8b-1
0.240
MAK-UNK-ca11b4f7-3
0.240
KEI-TRE-d5e2018a-55
0.240
ADA-UNI-f8e79267-6
0.239
MAR-TRE-67513f76-87
0.239
JAN-GHE-83b26c96-16
0.239
BRU-THA-92256091-7
0.239
MED-UNK-55e26634-1
0.239