Molecular Properties | |
SMILES: | CC(C)(C)OC(=O)N(C(=O)Nc1ccc(CC(=O)NC(N)=O)cc1)c1cccnc1 |
MW: | 413.17 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 143.72 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
carbamate, T-boc Protected
carbamate include di-substitued N
Long aliphatic chain
AAR-POS-d2a4d1df-11
WIL-UNI-5578df48-37
0.654
WIL-UNI-5578df48-35
0.640
WIL-UNI-5578df48-15
0.513
WIL-UNI-5578df48-38
0.500
WIL-UNI-5578df48-4
0.469
DAR-DIA-fc970077-9
0.429
WIL-UNI-5578df48-31
0.371
WIL-UNI-5578df48-28
0.371
WIL-UNI-5578df48-32
0.364
WIL-UNI-5578df48-8
0.349
WIL-UNI-5578df48-34
0.344
SIM-SYN-a98e6a07-2
0.333
SAD-SAT-689b7d5a-5
0.333
MED-UNK-cd1acb4a-1
0.310
MAK-UNK-a7b37c5e-5
0.310
WIL-UNI-5578df48-6
0.310
EMI-TUK-a58865cc-6
0.309
WIL-UNI-5578df48-5
0.304
MAK-UNK-a7b37c5e-4
0.298
WIL-UNI-5578df48-3
0.297
MIC-SGC-657978c3-5
0.295
SIM-SYN-a98e6a07-1
0.292
MED-UNK-40f14d64-1
0.292
MIC-SGC-657978c3-7
0.290
WIL-UNI-5578df48-14
0.290
SAD-SAT-689b7d5a-1
0.288
MAK-UNK-c749d764-17
0.287
ASH-UNK-40b46b30-3
0.287
WIL-UNI-5578df48-7
0.286
EMI-TUK-a58865cc-7
0.284
DAR-DIA-fc970077-14
0.283
MED-UNK-55e26634-1
0.281
JOR-UNI-61e7b1d5-8
0.280
SIM-SYN-a98e6a07-3
0.280
MAK-UNK-d1e89583-8
0.280
MAR-TRE-4f781e27-12
0.278
IAN-BAS-5ff43d1c-1
0.277
WIL-UNI-5578df48-2
0.277
MAK-UNK-c749d764-13
0.277
WIL-UNI-5578df48-18
0.276
MAR-TRE-67513f76-93
0.275
JOR-UNI-61e7b1d5-7
0.275
SAN-PRS-52b81272-2
0.274
WIL-UNI-5578df48-39
0.274
BAR-COM-21d20d65-8
0.273
BAR-COM-5694a99d-3
0.273
MAR-TRE-67513f76-81
0.273
JOR-UNI-2fc98d0b-2
0.273
MAK-UNK-a7b37c5e-1
0.273
ERI-UCB-ce40166b-23
0.272
JAN-GHE-d851b096-3
0.271
SAD-SAT-689b7d5a-8
0.271
SAD-SAT-24589cd1-4
0.271
LON-WEI-d1c9908a-2
0.270
KEI-TRE-d5e2018a-7
0.270
KEI-TRE-d5e2018a-92
0.270
BEN-BAS-589c65df-1
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MAR-TRE-4b834d9a-16
0.270
LON-WEI-d1c9908a-5
0.268
MAK-UNK-a7b37c5e-2
0.267
MIC-SGC-657978c3-6
0.266
MAR-TRE-2fd8122f-69
0.266
MAR-TRE-7f7bb9f0-90
0.266
JOH-IMS-62aeb97d-5
0.266
WIL-UNI-5578df48-17
0.265
KEI-TRE-d5e2018a-69
0.265
EMI-TUK-b780fc43-2
0.264
MAK-UNK-c749d764-27
0.264
MAR-TRE-7f7bb9f0-74
0.264
EMI-TUK-a58865cc-5
0.263
JOR-UNI-61e7b1d5-19
0.263
EMI-TUK-a58865cc-1
0.263
MAK-UNK-30aad1f1-7
0.262
JOR-UNI-61e7b1d5-9
0.262
KEI-TRE-d5e2018a-98
0.262
LON-WEI-d1c9908a-11
0.261
MAR-TRE-2fd8122f-79
0.261
DAR-DIA-842b4336-14
0.261
JOR-UNI-2fc98d0b-8
0.260
MAR-TRE-2fd8122f-30
0.260
JOH-IMS-62aeb97d-2
0.258
DAR-DIA-23aa0b97-16
0.258
DAR-DIA-23aa0b97-6
0.258
ANT-DIA-3c79be55-4
0.258
DAR-DIA-23aa0b97-4
0.258
MAR-TRE-2fd8122f-37
0.258
MAK-UNK-c749d764-23
0.258
MAT-POS-3d050446-1
0.257
LON-WEI-d1c9908a-1
0.257
RUT-UNI-630c5802-6
0.257
LON-WEI-b8d98729-33
0.257
AAR-POS-d2a4d1df-11
0.256
DAR-DIA-842b4336-11
0.256
ALE-HEI-f28a35b5-5
0.256
MAR-TRE-7f7bb9f0-46
0.255
DAR-DIA-23aa0b97-17
0.255
KEI-TRE-d5e2018a-80
0.255
MAR-TRE-2fd8122f-51
0.255
WIL-UNI-5578df48-16
0.255
MAR-TRE-f6f5f473-75
0.255