Molecular Properties | |
SMILES: | N[C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[C@H]2C(=O)N(C(=O)Nc2ccccc2)c2cccnc2)[C@@H]1O |
MW: | 451.527 |
Fraction sp3: | 0.42 |
HBA: | 6 |
HBD: | 4 |
Rotatable Bonds: | 6 |
TPSA: | 137.65 |
cLogP: | 1.8873 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
AAR-POS-d2a4d1df-11
MED-UNK-40f14d64-1
0.684
MED-UNK-91aaf3ac-1
0.527
MED-UNK-8b115213-1
0.475
MED-UNK-cd1acb4a-1
0.473
DAR-DIA-fc970077-9
0.409
SIM-SYN-a98e6a07-2
0.408
WIL-UNI-5578df48-8
0.383
DAR-DIA-fc970077-14
0.361
SIM-SYN-a98e6a07-1
0.360
MIC-SGC-657978c3-5
0.356
WIL-UNI-5578df48-6
0.348
ASH-UNK-40b46b30-9
0.330
MIC-SGC-657978c3-6
0.330
WIL-UNI-5578df48-5
0.327
WIL-UNI-5578df48-7
0.323
MIC-SGC-657978c3-7
0.314
WIL-UNI-5578df48-3
0.307
MAR-TRE-74c6519b-81
0.306
MIC-SGC-657978c3-8
0.300
EMI-TUK-a58865cc-7
0.295
WIL-UNI-5578df48-2
0.290
EMI-TUK-a58865cc-5
0.288
MAR-TRE-b77b7921-97
0.287
MAR-TRE-b77b7921-80
0.287
WIL-UNI-5578df48-37
0.287
AAR-POS-d2a4d1df-11
0.286
MIC-SGC-657978c3-3
0.284
JOR-UNI-61e7b1d5-24
0.283
SIM-SYN-a98e6a07-4
0.283
MAR-TRE-3e4e6814-62
0.283
JOR-UNI-2fc98d0b-13
0.282
WIL-UNI-5578df48-36
0.281
EMI-TUK-a58865cc-6
0.280
CHR-SOS-f7373dd1-1
0.276
MAR-TRE-7f7bb9f0-33
0.275
MAR-TRE-b77b7921-71
0.275
MAR-TRE-74c6519b-91
0.274
ASH-UNK-40b46b30-3
0.274
MAK-UNK-b2c98f02-5
0.274
ERI-UCB-ce40166b-23
0.272
MAR-TRE-04c86cea-95
0.272
MAK-MCD-586a6efd-1
0.271
BEN-DND-031a96cc-1
0.270
MAR-TRE-74c6519b-47
0.269
WIL-UNI-5578df48-11
0.269
CHR-SOS-f7373dd1-4
0.269
SIM-SYN-a98e6a07-3
0.269
MAK-UNK-10799360-24
0.269
KAY-MCD-59dc2eb3-1
0.268
BEN-DND-031a96cc-7
0.267
JOR-UNI-61e7b1d5-5
0.267
JOR-UNI-61e7b1d5-30
0.267
WIL-UNI-5578df48-4
0.267
EMI-TUK-a58865cc-4
0.266
WIL-UNI-5578df48-17
0.266
MAR-TRE-7f7bb9f0-97
0.266
JOR-UNI-2fc98d0b-17
0.265
JOR-UNI-2fc98d0b-3
0.265
MAK-UNK-10799360-25
0.265
EMI-TUK-a58865cc-1
0.264
JOR-UNI-61e7b1d5-9
0.263
JOR-UNI-61e7b1d5-20
0.263
WIL-UNI-5578df48-1
0.262
CHR-SOS-59746812-5
0.262
NAU-LAT-64f4b287-10
0.262
JOR-UNI-2fc98d0b-8
0.261
JOR-UNI-61e7b1d5-18
0.261
HAN-NEW-5f56c3bc-3
0.261
DAR-DIA-03336633-1
0.261
SAN-PRS-52b81272-2
0.260
MAK-UNK-b2c98f02-8
0.260
DRE-WAB-9b73098a-1
0.260
WIL-UNI-5578df48-35
0.260
MIC-SGC-657978c3-1
0.259
BEN-DND-031a96cc-3
0.259
JOR-UNI-2fc98d0b-16
0.259
MAK-UNK-b2c98f02-6
0.259
WAR-XCH-bdd24732-43
0.258
MAR-TRE-04c86cea-40
0.258
JOR-UNI-61e7b1d5-10
0.258
BEN-DND-031a96cc-8
0.258
MED-UNK-e6e8ef8a-5
0.257
CHR-SOS-70e4c98a-1
0.257
BEN-DND-031a96cc-2
0.257
JOR-UNI-2fc98d0b-12
0.256
JOR-UNI-2fc98d0b-9
0.256
JOR-UNI-61e7b1d5-25
0.256
MED-UNK-e6e8ef8a-2
0.255
FRA-FAC-9ed5a63a-2
0.255
CHR-SOS-70e4c98a-8
0.255
MAR-TRE-04c86cea-97
0.255
MAK-UNK-f0bfc2e0-1
0.255
MAK-UNK-009ebe36-8
0.254
DAR-DIA-03336633-11
0.254
TAT-ENA-80bfd3e5-23
0.253
WJF-WAB-092bbb97-1
0.252
MAR-TRE-f6f5f473-84
0.252
CHR-SOS-59746812-1
0.252
ADA-UNI-f8e79267-6
0.252
MAR-TRE-3e4e6814-49
0.252