Molecular Properties | |
SMILES: | N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2C(=O)N(C(=O)Nc2ccccc2)c2cccnc2)C1 |
MW: | 435.528 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 117.42 |
cLogP: | 2.9165 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
AAR-POS-d2a4d1df-11
MED-UNK-91aaf3ac-1
0.768
MED-UNK-55e26634-1
0.684
MED-UNK-cd1acb4a-1
0.670
MED-UNK-8b115213-1
0.654
MAR-TRE-b77b7921-97
0.448
DAR-DIA-fc970077-9
0.409
SIM-SYN-a98e6a07-2
0.408
WIL-UNI-5578df48-8
0.383
MIC-SGC-657978c3-5
0.370
WIL-UNI-5578df48-6
0.363
SIM-SYN-a98e6a07-1
0.360
MAR-TRE-74c6519b-91
0.350
DAR-DIA-fc970077-14
0.347
MIC-SGC-657978c3-6
0.343
WIL-UNI-5578df48-5
0.340
WIL-UNI-5578df48-7
0.337
BEN-DND-031a96cc-7
0.324
MAR-TRE-f6f5f473-81
0.320
ASH-UNK-40b46b30-9
0.317
MIC-SGC-657978c3-7
0.314
WIL-UNI-5578df48-37
0.310
WIL-UNI-5578df48-3
0.307
MAR-TRE-74c6519b-81
0.306
WIL-UNI-5578df48-2
0.304
WIL-UNI-5578df48-17
0.302
MAR-TRE-04c86cea-40
0.302
MIC-SGC-657978c3-8
0.300
EMI-TUK-a58865cc-7
0.295
WIL-UNI-5578df48-36
0.292
MAK-UNK-b2c98f02-8
0.292
EMI-TUK-a58865cc-5
0.288
AAR-POS-d2a4d1df-11
0.286
MAK-UNK-b2c98f02-5
0.284
MIC-SGC-657978c3-3
0.284
BEN-DND-031a96cc-8
0.284
EMI-TUK-a58865cc-6
0.280
MAK-UNK-b2c98f02-7
0.280
BEN-DND-031a96cc-2
0.279
CHR-SOS-f7373dd1-1
0.276
EMI-TUK-a58865cc-1
0.275
MAR-TRE-b77b7921-71
0.275
MAR-TRE-b77b7921-80
0.275
WIL-UNI-5578df48-1
0.275
ASH-UNK-40b46b30-3
0.274
MAK-UNK-b2c98f02-9
0.274
JOR-UNI-2fc98d0b-8
0.273
SIM-SYN-a98e6a07-4
0.273
ERI-UCB-ce40166b-23
0.272
MAK-MCD-586a6efd-1
0.271
MAR-TRE-3e4e6814-62
0.271
JOR-UNI-61e7b1d5-21
0.270
BEN-DND-031a96cc-3
0.270
MAR-TRE-04c86cea-46
0.270
JOR-UNI-2fc98d0b-16
0.270
BEN-DND-031a96cc-1
0.270
CHR-SOS-f7373dd1-4
0.269
MAK-UNK-10799360-24
0.269
SIM-SYN-a98e6a07-3
0.269
MED-UNK-e6e8ef8a-2
0.267
FRA-FAC-9ed5a63a-2
0.267
JOR-UNI-2fc98d0b-12
0.267
WIL-UNI-5578df48-4
0.267
MIC-SGC-657978c3-4
0.266
EMI-TUK-a58865cc-4
0.266
JOR-UNI-2fc98d0b-17
0.265
MAK-UNK-10799360-25
0.265
WJF-WAB-092bbb97-1
0.265
ADA-UNI-f8e79267-6
0.264
MAR-TRE-f6f5f473-84
0.264
JOR-UNI-61e7b1d5-19
0.264
MAR-TRE-7f7bb9f0-33
0.264
JOR-UNI-61e7b1d5-9
0.263
JOR-UNI-61e7b1d5-20
0.263
BEN-DND-031a96cc-6
0.263
SAN-PRS-52b81272-1
0.263
NAU-LAT-64f4b287-10
0.262
EMI-TUK-a58865cc-3
0.262
JOR-UNI-2fc98d0b-13
0.261
JOR-UNI-61e7b1d5-18
0.261
SAN-PRS-52b81272-2
0.260
DRE-WAB-9b73098a-1
0.260
MIC-SGC-657978c3-1
0.259
WIL-UNI-5578df48-38
0.259
MAK-UNK-b2c98f02-6
0.259
FRA-FAC-9ed5a63a-3
0.257
WIL-UNI-5578df48-11
0.257
CHR-SOS-70e4c98a-1
0.257
JOR-UNI-61e7b1d5-30
0.256
CHR-SOS-70e4c98a-8
0.255
MAK-UNK-f0bfc2e0-1
0.255
MAR-TRE-7f7bb9f0-97
0.255
EMI-TUK-a58865cc-2
0.255
IAN-BAS-5ff43d1c-1
0.254
MAK-UNK-009ebe36-8
0.254
DAR-DIA-03336633-11
0.254
JOR-UNI-2fc98d0b-3
0.254
TAT-ENA-80bfd3e5-23
0.253
MAR-TRE-9c797165-48
0.252
MAR-TRE-3e4e6814-49
0.252
JOR-UNI-61e7b1d5-24
0.252