Molecular Properties | |
SMILES: | NC(=O)CN(C(=O)Nc1cnccn1)c1ccccc1 |
MW: | 271.11 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.21 |
cLogP: | 1.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EMI-TUK-a58865cc-7
0.400
EMI-TUK-a58865cc-6
0.395
EMI-TUK-a58865cc-5
0.392
WIL-UNI-5578df48-3
0.365
BAR-COM-4e090d3a-21
0.357
EMI-TUK-a58865cc-4
0.354
JAN-GHE-5a013bed-8
0.352
ASH-UNK-40b46b30-3
0.351
WIL-UNI-5578df48-8
0.338
SIM-SYN-a98e6a07-2
0.338
DAR-DIA-fc970077-9
0.329
WIL-UNI-5578df48-2
0.328
DRE-WAB-9b73098a-1
0.319
WIL-UNI-5578df48-6
0.310
JAL-FNM-0d3e14c0-1
0.306
MAK-UNK-194150d3-2
0.306
EMI-TUK-a58865cc-1
0.301
KAY-MCD-59dc2eb3-1
0.300
ERI-UCB-ce40166b-23
0.295
WIL-UNI-5578df48-4
0.291
SIM-SYN-a98e6a07-1
0.290
AUS-ARG-7cfdce8f-13
0.289
SAD-SAT-d8079f6f-7
0.286
WIL-UNI-5578df48-1
0.286
JOR-UNI-61e7b1d5-7
0.284
KEI-TRE-d5e2018a-81
0.284
JOR-UNI-2fc98d0b-2
0.282
DAR-DIA-fc970077-14
0.278
MAT-UCB-70f7c0f7-5
0.277
MAK-UNK-f0bfc2e0-1
0.274
MED-UNK-cd1acb4a-1
0.272
MIC-SGC-657978c3-7
0.272
JOR-UNI-61e7b1d5-20
0.269
EMI-TUK-a58865cc-3
0.268
JOR-UNI-61e7b1d5-18
0.266
WIL-UNI-5578df48-7
0.266
MED-UNK-40f14d64-1
0.265
EDG-MED-0da5ad92-20
0.264
MIC-SGC-657978c3-5
0.262
ASH-UNK-40b46b30-9
0.262
JOR-UNI-2fc98d0b-12
0.261
SID-ELM-8b394441-1
0.260
MIC-SGC-657978c3-6
0.259
DRA-CSI-47e38074-11
0.259
UNK-UNK-2ede4078-14
0.259
EMI-TUK-a58865cc-2
0.259
WIL-UNI-5578df48-37
0.258
AUS-ARG-7cfdce8f-11
0.257
SID-ELM-8b394441-2
0.256
WIL-UNI-5578df48-5
0.256
SAM-UNK-2684b532-2
0.256
JOR-UNI-61e7b1d5-9
0.256
GIA-UNK-3f36037a-7
0.254
MIC-SGC-657978c3-8
0.253
SID-ELM-b654bfa2-3
0.253
JOR-UNI-2fc98d0b-8
0.253
MAT-POS-136e7878-1
0.253
JOR-UNI-61e7b1d5-21
0.253
MED-UNK-55e26634-1
0.252
BEN-DND-93268d01-13
0.250
MIC-UNK-cdc2493e-3
0.250
AAR-UNI-c25c2f1e-59
0.250
WIL-UNI-5578df48-36
0.250
KEI-TRE-d5e2018a-71
0.250
SEA-TRI-6388eba6-1
0.250
JOR-UNI-61e7b1d5-8
0.250
SAN-PRS-52b81272-2
0.250
LON-WEI-adc59df6-48
0.250
RED-RED-10c9212c-54
0.250
JOR-UNI-61e7b1d5-14
0.247
JOR-UNI-61e7b1d5-30
0.247
JOR-UNI-61e7b1d5-28
0.247
FOC-CAS-e3a94da8-2
0.247
NAU-LAT-3f5f3993-1
0.247
CHR-SOS-1f323c23-7
0.247
SID-ELM-2583a2cd-11
0.247
AAR-POS-d2a4d1df-11
0.246
JOR-UNI-61e7b1d5-19
0.245
JOR-UNI-2fc98d0b-5
0.245
SAD-SAT-689b7d5a-1
0.245
JOR-UNI-2fc98d0b-17
0.245
JOR-UNI-2fc98d0b-11
0.245
IAN-BAS-5ff43d1c-1
0.244
CHR-SOS-1f323c23-4
0.244
SEA-TRI-2dd971ce-1
0.244
CHR-SOS-70e4c98a-8
0.244
MAK-UNK-a7b37c5e-2
0.244
SID-ELM-b654bfa2-1
0.244
MAR-LAB-ca4662a6-3
0.243
NIM-UNI-6eebfcd4-1
0.243
SIM-SYN-a98e6a07-4
0.242
BAR-COM-4e090d3a-47
0.242
UNK-UNK-2ede4078-44
0.242
KEI-TRE-d5e2018a-64
0.242
RAL-THA-4a5dabff-1
0.242
CHR-SOS-59746812-1
0.241
DAR-DIA-03336633-15
0.241
SID-ELM-b654bfa2-2
0.241
TAT-ENA-80bfd3e5-23
0.240
EMI-TUK-b780fc43-2
0.240