Molecular Properties | |
SMILES: | O=C(Cc1ccccc1)N(Cc1cccnc1)C(=O)NCC1CC1 |
MW: | 323.396 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 62.3 |
cLogP: | 2.7725 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
Long aliphatic chain
MIC-SGC-657978c3-1
0.681
MIC-SGC-657978c3-4
0.639
MIC-SGC-657978c3-5
0.581
MIC-SGC-657978c3-2
0.474
MIC-SGC-657978c3-6
0.430
MIC-SGC-657978c3-7
0.425
SAN-PRS-52b81272-2
0.384
NAU-LAT-64f4b287-9
0.360
WIL-UNI-5578df48-8
0.358
RUT-UNI-630c5802-14
0.327
BAR-COM-4e090d3a-55
0.324
IAN-BAS-5ff43d1c-1
0.323
WIL-UNI-5578df48-3
0.318
BAR-COM-4e090d3a-47
0.316
RUT-UNI-630c5802-2
0.314
SAN-PRS-52b81272-1
0.312
SIM-SYN-a98e6a07-2
0.311
MIC-SGC-657978c3-8
0.310
RAL-MED-2de63afb-1
0.308
RUT-UNI-630c5802-6
0.308
MAR-TRE-85681e92-95
0.307
WAR-XCH-b0339bbe-21
0.306
SCO-CSI-e30c12ee-1
0.306
RUT-UNI-630c5802-10
0.305
WIL-UNI-5578df48-6
0.300
DAR-DIA-fc970077-9
0.300
BEN-DND-031a96cc-1
0.299
MAR-TRE-04c86cea-97
0.299
DAR-DIA-03336633-7
0.297
MAK-UNK-10799360-24
0.297
TRY-UNI-714a760b-5
0.296
MAR-TRE-c8530538-92
0.296
ANT-OPE-6e66bf84-1
0.295
MAR-TRE-7f7bb9f0-33
0.293
MAR-TRE-87acfbcc-66
0.293
WIL-UNI-5578df48-7
0.291
DAR-DIA-23aa0b97-6
0.291
PET-UNK-55f647aa-3
0.290
MAK-UNK-b2c98f02-9
0.290
MAK-UNK-b2c98f02-5
0.290
RAL-MED-2de63afb-6
0.289
ANT-OPE-6e66bf84-2
0.289
DRA-CSI-47e38074-3
0.287
DAR-DIA-fc970077-14
0.287
ANT-DIA-045cfdc4-5
0.287
FRA-FAC-9ed5a63a-2
0.286
MED-UNK-e6e8ef8a-2
0.286
ANT-DIA-3c79be55-2
0.286
ASH-UNK-40b46b30-9
0.286
MAK-UNK-b2c98f02-8
0.286
MED-UNK-55e26634-1
0.284
MED-UNK-40f14d64-1
0.284
ALP-POS-c0c213c9-14
0.284
SIM-DEM-1d7050d3-1
0.284
DRA-CSI-47e38074-11
0.284
MAK-UNK-a7b37c5e-5
0.284
NIM-UNI-bb9030bf-11
0.283
RAL-THA-2d450e86-1
0.282
MAR-TRE-423310b6-43
0.282
WIL-UNI-5578df48-2
0.282
CHR-SOS-59746812-1
0.281
WIL-UNI-5578df48-5
0.281
DAR-DIA-03336633-9
0.280
DUN-NEW-f8ce3686-15
0.280
CHR-SOS-59746812-5
0.278
DAR-DIA-03336633-8
0.277
NIM-UNI-bb9030bf-10
0.277
AAR-POS-d2a4d1df-11
0.276
BEN-DND-61647d40-8
0.276
DAR-DIA-23aa0b97-4
0.276
TRY-UNI-9f475305-7
0.276
SAD-SAT-24589cd1-4
0.275
NIM-UNI-bb9030bf-1
0.275
DUN-NEW-d8381160-1
0.275
DAR-DIA-03336633-10
0.275
MAR-TRE-fd17a9b8-44
0.275
DUN-NEW-f8ce3686-20
0.275
TRY-UNI-714a760b-2
0.274
EDG-MED-0da5ad92-2
0.274
BRU-THA-92256091-7
0.273
SAD-SAT-29425be4-27
0.273
MAR-TRE-c8530538-54
0.273
MAR-TRE-74c6519b-47
0.273
MAK-UNK-a7b37c5e-4
0.272
MED-UNK-e6e8ef8a-3
0.271
WAR-XCH-bdd24732-28
0.270
EMI-TUK-a58865cc-4
0.269
ALP-POS-02c6a514-2
0.269
ALP-POS-b0bc6a46-2
0.269
BRU-THA-92256091-11
0.269
MAK-UNK-a7b37c5e-3
0.268
MAK-UNK-009ebe36-8
0.268
MED-UNK-cd1acb4a-1
0.268
TRY-UNI-69298daf-5
0.267
NIM-UNI-36e12f95-2
0.267
MAK-UNK-10799360-25
0.267
MAK-UNK-c749d764-13
0.267
JAN-GHE-83b26c96-16
0.267
ADA-UNI-f8e79267-6
0.267
CHA-MCP-85291e1d-5
0.267