Molecular Properties | |
SMILES: | CC(=O)Nc1cnc(N(C(=O)Cc2ccccc2)c2cccnc2)[nH]1 |
MW: | 335.367 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 90.98 |
cLogP: | 2.6705 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-11
MIC-SGC-657978c3-7
0.410
MIC-SGC-657978c3-5
0.395
DAR-DIA-fc970077-9
0.354
WIL-UNI-5578df48-6
0.354
DAR-DIA-fc970077-14
0.353
JAC-SHE-fc18d444-1
0.352
SAN-PRS-52b81272-2
0.351
WIL-UNI-5578df48-8
0.345
WIL-UNI-5578df48-7
0.341
MIC-SGC-657978c3-1
0.337
TRY-UNI-714a760b-5
0.333
WIL-UNI-5578df48-5
0.330
IAN-BAS-a5a0ad12-1
0.323
MIC-SGC-657978c3-3
0.323
JAN-GHE-83b26c96-16
0.315
WIL-UNI-5578df48-3
0.307
BEN-BAS-589c65df-1
0.305
JAN-GHE-76def03c-2
0.304
WIL-UNI-5578df48-2
0.304
BEN-BAS-d50bea19-1
0.301
PET-UNK-e8c7a26f-2
0.297
NAU-LAT-64f4b287-9
0.296
TRY-UNI-714a760b-2
0.294
MAK-UNK-a7b37c5e-3
0.289
MAK-UNK-f0bfc2e0-1
0.287
CHR-SOS-59746812-1
0.286
MAK-UNK-129dcd6f-17
0.284
WIL-UNI-5578df48-1
0.284
CHR-SOS-59746812-5
0.283
AAR-POS-d2a4d1df-11
0.282
ERI-UCB-ce40166b-23
0.280
MAR-TRE-9d18ae8c-35
0.280
MAR-TRE-74c6519b-47
0.278
WIL-UNI-5578df48-36
0.277
EDG-MED-0da5ad92-20
0.277
EMI-TUK-a58865cc-6
0.277
RUT-UNI-630c5802-6
0.275
WIL-UNI-5578df48-4
0.275
MAR-TRE-c8530538-92
0.275
EMI-TUK-b780fc43-2
0.274
SIM-SYN-a98e6a07-2
0.274
TRY-UNI-69298daf-5
0.272
EMI-TUK-a58865cc-5
0.272
WIL-UNI-5578df48-34
0.271
EMI-TUK-a58865cc-1
0.271
NAU-LAT-445f63e5-6
0.271
RUT-UNI-630c5802-14
0.270
NIC-BIO-3276ca7f-4
0.270
ASH-UNK-40b46b30-3
0.269
EMI-TUK-a58865cc-3
0.269
KEI-TRE-d5e2018a-81
0.269
RUT-UNI-630c5802-2
0.269
DUN-NEW-f8ce3686-20
0.267
BEN-DND-93268d01-14
0.267
BEN-DND-61647d40-17
0.267
MAT-POS-f42f3716-8
0.266
EMI-TUK-a58865cc-7
0.266
BAR-COM-21d20d65-5
0.265
BEN-DND-031a96cc-1
0.265
KEI-TRE-d5e2018a-71
0.265
WIL-UNI-5578df48-11
0.264
ASH-UNK-40b46b30-9
0.263
MAK-UNK-129dcd6f-1
0.263
RIT-AID-b8bd8251-1
0.263
KEI-TRE-d5e2018a-56
0.262
MAK-UNK-a7b37c5e-4
0.262
RUT-UNI-630c5802-10
0.261
MAR-TRE-04c86cea-97
0.261
CHA-MCP-85291e1d-2
0.261
EDG-MED-0da5ad92-1
0.261
JAN-GHE-83b26c96-15
0.261
GAB-REV-70cc3ca5-13
0.261
SAD-SAT-689b7d5a-4
0.261
MIC-SGC-657978c3-6
0.261
MAR-TRE-87acfbcc-31
0.260
MAK-UNK-009ebe36-8
0.260
MED-COV-4280ac29-28
0.260
DUN-NEW-f8ce3686-15
0.260
DAR-DIA-03336633-9
0.260
SID-ELM-2583a2cd-7
0.259
MAK-UNK-a7b37c5e-5
0.259
TRY-UNI-714a760b-4
0.259
ALE-HEI-f28a35b5-1
0.259
WIL-UNI-5578df48-10
0.258
MAK-UNK-129dcd6f-6
0.258
RAL-THA-2d450e86-1
0.258
SAM-UNK-2684b532-2
0.258
BAR-COM-5694a99d-4
0.258
BRU-THA-92256091-6
0.256
SWA-SYN-59528602-2
0.256
DAN-PUR-3907f623-3
0.256
MIC-SGC-657978c3-8
0.256
DAR-DIA-56cf811e-2
0.255
MAR-TRE-4f781e27-48
0.255
PET-UNK-55f647aa-3
0.255
BRU-THA-92256091-8
0.254
MED-UNK-40f14d64-1
0.254
ANT-DIA-b7f58f21-4
0.253
MAK-UNK-a7b37c5e-1
0.253
WIL-UNI-5578df48-28
0.253