Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)N(C(=O)NC1CC1)c1cccnc1 |
MW: | 295.342 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 2.5293 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
MIC-SGC-657978c3-5
0.657
MIC-SGC-657978c3-1
0.571
MIC-SGC-657978c3-8
0.552
MIC-SGC-657978c3-2
0.434
MIC-SGC-657978c3-3
0.425
SIM-SYN-a98e6a07-2
0.418
IAN-BAS-5ff43d1c-1
0.410
MIC-SGC-657978c3-6
0.390
WIL-UNI-5578df48-8
0.387
DAR-DIA-fc970077-9
0.380
SAN-PRS-52b81272-2
0.377
WIL-UNI-5578df48-6
0.361
WIL-UNI-5578df48-3
0.359
NAU-LAT-64f4b287-9
0.352
SIM-DEM-1d7050d3-1
0.349
FRA-FAC-9ed5a63a-3
0.347
PET-UNK-e8c7a26f-2
0.346
DAR-DIA-fc970077-14
0.342
TRY-UNI-69298daf-5
0.341
ASH-UNK-40b46b30-9
0.337
SIM-SYN-a98e6a07-3
0.330
WIL-UNI-5578df48-7
0.329
WAR-XCH-b0339bbe-21
0.326
WIL-UNI-5578df48-2
0.324
MIC-SGC-657978c3-4
0.318
WIL-UNI-5578df48-5
0.317
DAN-PUR-3907f623-3
0.316
TRY-UNI-69298daf-6
0.316
MED-UNK-40f14d64-1
0.314
MED-UNK-55e26634-1
0.314
SCO-CSI-e30c12ee-1
0.311
EMI-TUK-a58865cc-6
0.306
TRY-UNI-714a760b-5
0.303
ALE-HEI-f28a35b5-8
0.303
DAR-DIA-03336633-7
0.302
EMI-TUK-a58865cc-5
0.301
CHR-SOS-59746812-1
0.301
JAN-GHE-83b26c96-16
0.301
AAR-POS-d2a4d1df-11
0.300
KEI-TRE-d5e2018a-81
0.298
ASH-UNK-40b46b30-3
0.298
CHR-SOS-59746812-5
0.298
MED-UNK-cd1acb4a-1
0.295
TRY-UNI-9f475305-6
0.295
MAK-UNK-b2c98f02-5
0.295
EMI-TUK-a58865cc-7
0.294
DUN-NEW-d8381160-1
0.294
ERI-UCB-ce40166b-23
0.293
TRY-UNI-9f475305-7
0.293
CHR-SOS-f7373dd1-4
0.293
BEN-BAS-589c65df-1
0.292
JAN-GHE-76def03c-2
0.292
WIL-UNI-5578df48-36
0.290
BEN-DND-031a96cc-1
0.290
MAK-UNK-a7b37c5e-3
0.289
DRA-CSI-47e38074-11
0.289
MAR-TRE-04c86cea-97
0.289
SIM-SYN-a98e6a07-5
0.289
EMI-TUK-a58865cc-4
0.287
MAR-TRE-b77b7921-13
0.286
CHR-SOS-f7373dd1-1
0.286
NAU-LAT-445f63e5-6
0.284
WIL-UNI-5578df48-1
0.284
DAR-DIA-03336633-13
0.281
JAC-SHE-fc18d444-1
0.281
FRA-FAC-9ed5a63a-4
0.280
MAR-TRE-04c86cea-8
0.280
LON-WEI-adc59df6-44
0.280
NJA-MAN-00c90aa2-43
0.280
SIM-SYN-a98e6a07-6
0.280
TRY-UNI-714a760b-2
0.278
MAR-TRE-2fd8122f-28
0.278
BEN-DND-031a96cc-3
0.278
BEN-BAS-edf2ae6d-1
0.278
MAK-UNK-b2c98f02-8
0.277
MAR-TRE-74c6519b-47
0.277
NIM-NMI-8bb27a2b-17
0.277
MAK-UNK-b2c98f02-6
0.277
KEI-TRE-d5e2018a-71
0.277
MAK-UNK-a7b37c5e-4
0.276
SIM-SYN-a98e6a07-1
0.276
MAK-UNK-10799360-24
0.276
MAK-UNK-b2c98f02-7
0.276
MED-UNK-e6e8ef8a-2
0.275
ANT-DIA-3c79be55-2
0.275
FRA-FAC-9ed5a63a-2
0.275
RUT-UNI-630c5802-6
0.275
WIL-UNI-5578df48-4
0.274
IFT-SAT-023cfffe-5
0.272
MAK-UNK-009ebe36-8
0.272
WJF-WAB-092bbb97-1
0.272
RAL-THA-2d450e86-1
0.272
DUN-NEW-f8ce3686-15
0.271
RAL-MED-2de63afb-1
0.270
EMI-TUK-a58865cc-1
0.270
WIL-UNI-5578df48-34
0.270
MAR-TRE-7f7bb9f0-68
0.270
SAN-PRS-52b81272-1
0.269
RUT-UNI-630c5802-14
0.269
NAU-LAT-445f63e5-1
0.269