Molecular Properties | |
SMILES: | O=C(NCC1CC1)N(Cc1cccnc1)C(=O)c1ccccc1 |
MW: | 309.369 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 62.3 |
cLogP: | 2.8436 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
MIC-SGC-657978c3-2
0.687
MIC-SGC-657978c3-3
0.639
MIC-SGC-657978c3-6
0.542
MIC-SGC-657978c3-5
0.456
MIC-SGC-657978c3-1
0.443
MIC-SGC-657978c3-8
0.403
SAN-PRS-52b81272-1
0.373
BAR-COM-4e090d3a-55
0.357
BAR-COM-4e090d3a-47
0.337
NAU-LAT-64f4b287-9
0.333
SCO-CSI-e30c12ee-1
0.324
MIC-SGC-657978c3-7
0.318
WIL-UNI-5578df48-8
0.317
RUT-UNI-630c5802-14
0.308
SAD-SAT-29425be4-27
0.305
NIM-UNI-bb9030bf-11
0.303
NIM-UNI-310206f0-46
0.303
SAN-PRS-52b81272-2
0.303
MAR-TRE-87acfbcc-66
0.300
RUT-UNI-630c5802-10
0.298
MAR-TRE-85681e92-95
0.297
RUT-UNI-630c5802-2
0.294
WIL-UNI-5578df48-3
0.294
ANT-DIA-045cfdc4-5
0.293
ANT-DIA-3c79be55-2
0.293
SIM-SYN-a98e6a07-2
0.289
MAR-TRE-c8530538-92
0.289
RUT-UNI-630c5802-6
0.288
RAL-MED-2de63afb-1
0.286
MAT-POS-b5746674-1
0.284
MAR-TRE-e86a56b5-35
0.284
MAK-UNK-b2c98f02-5
0.283
MAK-UNK-b2c98f02-9
0.283
NIM-UNI-bb9030bf-10
0.283
WIL-UNI-5578df48-7
0.282
BEN-DND-031a96cc-8
0.282
DUN-NEW-d8381160-1
0.281
STE-UNK-dfade101-1
0.278
DRA-CSI-47e38074-3
0.278
BEN-DND-031a96cc-1
0.278
ASH-UNK-40b46b30-9
0.278
MED-UNK-e6e8ef8a-2
0.277
FRA-FAC-9ed5a63a-2
0.277
MAR-TRE-04c86cea-97
0.276
DRA-CSI-47e38074-11
0.276
DAR-DIA-fc970077-9
0.275
WIL-UNI-5578df48-6
0.275
MAR-TRE-423310b6-43
0.274
ANT-OPE-6e66bf84-1
0.274
JAR-KUA-8c13982c-9
0.274
BAR-COM-4e090d3a-69
0.274
WIL-UNI-5578df48-2
0.273
WAR-XCH-b0339bbe-21
0.273
MAR-TRE-7f7bb9f0-33
0.272
ALP-POS-02c6a514-11
0.271
SIM-SYN-3099a863-3
0.271
WIL-UNI-5578df48-1
0.271
KEI-TRE-d5e2018a-77
0.269
MAR-TRE-b77b7921-53
0.269
JAC-SHE-fc18d444-1
0.269
JUL-TUD-06b2044f-90
0.269
ANT-OPE-6e66bf84-2
0.268
DAR-DIA-23aa0b97-6
0.267
CHR-SOS-70e4c98a-6
0.267
BEN-DND-61647d40-8
0.267
MAK-UNK-b2c98f02-8
0.267
NIM-UNI-bb9030bf-1
0.267
MED-UNK-40f14d64-1
0.266
MAR-TRE-c8530538-54
0.265
MED-UNK-e6e8ef8a-5
0.265
MAK-UNK-10799360-24
0.265
ALP-POS-c0c213c9-14
0.265
CHR-SOS-59746812-2
0.264
CHA-MCP-85291e1d-7
0.264
WAR-XCH-bdd24732-37
0.264
BEN-DND-031a96cc-7
0.263
PRA-FNM-52fd7fdf-1
0.263
MED-UNK-e6e8ef8a-3
0.262
BRU-THA-92256091-11
0.262
CHR-SOS-59746812-6
0.261
CHR-SOS-70e4c98a-8
0.261
MED-UNK-cd1acb4a-1
0.261
EMI-TUK-a58865cc-4
0.261
MAR-TRE-fd17a9b8-90
0.260
NIM-UNI-bb9030bf-12
0.260
NIM-UNI-36e12f95-2
0.260
DRR-IMP-38dce17f-4
0.259
MAK-UNK-a7b37c5e-5
0.259
MAK-UNK-2c1752f0-1
0.259
STE-KUL-2e0d2e88-3
0.258
WIL-UNI-5578df48-5
0.258
CHR-SOS-59746812-1
0.258
ADA-UNI-f8e79267-6
0.258
MAR-TRE-9c797165-66
0.258
EMI-TUK-a58865cc-1
0.258
MAR-TRE-4f781e27-34
0.258
JAG-UCB-1d922829-2
0.257
JIA-UNI-9972d268-3
0.257
SAD-SAT-b55127ae-4
0.256
NAU-LAT-445f63e5-1
0.256