Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)N(C(=O)NCC1CC1)c1cccnc1 |
MW: | 309.369 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 2.7769 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
Long aliphatic chain
MIC-SGC-657978c3-7
0.657
MIC-SGC-657978c3-6
0.594
MIC-SGC-657978c3-3
0.581
MIC-SGC-657978c3-4
0.456
MIC-SGC-657978c3-1
0.430
IAN-BAS-5ff43d1c-1
0.395
MIC-SGC-657978c3-8
0.390
WIL-UNI-5578df48-8
0.390
DAR-DIA-fc970077-9
0.384
MED-UNK-40f14d64-1
0.370
WIL-UNI-5578df48-6
0.365
SAN-PRS-52b81272-2
0.361
TRY-UNI-69298daf-5
0.359
MED-UNK-55e26634-1
0.356
NAU-LAT-64f4b287-9
0.356
SIM-SYN-a98e6a07-2
0.353
WIL-UNI-5578df48-7
0.350
MED-UNK-cd1acb4a-1
0.350
PET-UNK-e8c7a26f-2
0.349
DAR-DIA-fc970077-14
0.346
WIL-UNI-5578df48-3
0.346
WIL-UNI-5578df48-5
0.337
MIC-SGC-657978c3-2
0.333
ASH-UNK-40b46b30-9
0.326
SAN-PRS-52b81272-1
0.325
SIM-DEM-1d7050d3-1
0.322
JAN-GHE-83b26c96-16
0.321
WIL-UNI-5578df48-2
0.311
TRY-UNI-714a760b-5
0.308
TRY-UNI-69298daf-6
0.307
JAC-SHE-fc18d444-1
0.300
DRA-CSI-47e38074-3
0.299
FRA-FAC-9ed5a63a-2
0.296
MED-UNK-e6e8ef8a-2
0.296
JAN-GHE-76def03c-2
0.296
EMI-TUK-a58865cc-6
0.295
WIL-UNI-5578df48-36
0.295
MED-UNK-91aaf3ac-1
0.295
MED-UNK-8b115213-1
0.294
DRA-CSI-47e38074-11
0.294
NIM-UNI-bb9030bf-11
0.292
EMI-TUK-a58865cc-5
0.291
DAN-PUR-3907f623-3
0.289
WIL-UNI-5578df48-1
0.289
WIL-UNI-5578df48-34
0.289
MAR-TRE-7f7bb9f0-33
0.289
WAR-XCH-b0339bbe-21
0.289
AAR-POS-d2a4d1df-11
0.288
ASH-UNK-40b46b30-3
0.287
JOR-UNI-2fc98d0b-8
0.286
RUT-UNI-630c5802-14
0.286
MAK-UNK-b2c98f02-5
0.286
MAK-UNK-b2c98f02-9
0.286
NIM-UNI-bb9030bf-10
0.286
ERI-UCB-ce40166b-23
0.284
EMI-TUK-a58865cc-7
0.284
BEN-BAS-589c65df-1
0.283
BEN-BAS-edf2ae6d-1
0.283
MAR-TRE-74c6519b-47
0.282
BEN-DND-031a96cc-1
0.281
DAR-DIA-03336633-7
0.280
MAK-UNK-10799360-24
0.280
SIM-SYN-a98e6a07-1
0.280
WIL-UNI-5578df48-4
0.279
MAR-TRE-04c86cea-97
0.279
RUT-UNI-630c5802-6
0.279
MAK-UNK-a7b37c5e-3
0.278
EMI-TUK-a58865cc-4
0.278
RAL-THA-2d450e86-1
0.277
MAK-UNK-009ebe36-8
0.277
CHR-SOS-59746812-1
0.276
NIM-UNI-36e12f95-2
0.276
WIL-UNI-5578df48-37
0.276
MAR-TRE-f6f5f473-53
0.276
RAL-MED-2de63afb-1
0.275
NAU-LAT-445f63e5-6
0.275
DRA-CSI-47e38074-2
0.274
JOR-UNI-61e7b1d5-9
0.274
ALP-POS-e980f4ea-28
0.274
CHR-SOS-59746812-5
0.273
KEI-TRE-d5e2018a-81
0.273
RUT-UNI-630c5802-2
0.272
LEO-EVO-0d2ed6fc-3
0.271
NJA-MAN-00c90aa2-43
0.271
MAR-TRE-4b834d9a-84
0.271
JOH-UNI-a38a7bdd-9
0.271
CHR-SOS-70e4c98a-6
0.271
MAR-TRE-fd17a9b8-44
0.270
RAL-MED-2de63afb-6
0.270
NIM-UNI-bb9030bf-1
0.270
MAK-UNK-b2c98f02-8
0.269
ANT-DIA-045cfdc4-5
0.269
NAU-LAT-3f5f3993-3
0.269
TRY-UNI-714a760b-2
0.268
FRA-FAC-9ed5a63a-3
0.268
MAK-UNK-b2c98f02-6
0.268
TRY-UNI-69298daf-3
0.268
MAK-UNK-b2c98f02-7
0.267
SIM-SYN-a98e6a07-3
0.267
MAR-TRE-423310b6-10
0.267