Molecular Properties | |
SMILES: | CCNc1ncc(C#[N+2])cc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 292.342 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 76.32 |
cLogP: | 2.4929 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
GAB-REV-df64cf17-19
0.808
MAK-UNK-516d8086-3
0.808
MAK-UNK-516d8086-11
0.684
MAK-UNK-516d8086-10
0.671
MAK-UNK-516d8086-1
0.633
MAK-UNK-516d8086-25
0.595
MAK-UNK-516d8086-8
0.578
MAK-UNK-516d8086-22
0.571
MAK-UNK-516d8086-9
0.566
MAK-UNK-516d8086-4
0.548
MAK-UNK-516d8086-2
0.524
MAK-UNK-516d8086-23
0.523
GAB-REV-df64cf17-20
0.517
MAK-UNK-516d8086-16
0.506
MAK-UNK-516d8086-13
0.506
MAK-UNK-516d8086-5
0.494
MAK-UNK-516d8086-20
0.489
MAK-UNK-516d8086-24
0.478
MAK-UNK-516d8086-21
0.477
MAK-UNK-516d8086-6
0.466
MAK-UNK-516d8086-7
0.455
MAK-UNK-516d8086-18
0.435
MAK-UNK-516d8086-19
0.435
MAK-UNK-516d8086-32
0.340
MAK-UNK-516d8086-31
0.306
JAN-GHE-fd8d85a5-1
0.304
PET-SGC-f147f0b6-1
0.303
JAN-UNI-2e92c4b1-4
0.297
GAB-REV-df64cf17-1
0.296
NIR-THE-0d6461ce-6
0.293
PET-SGC-9a4d8c0f-1
0.291
GAB-REV-df64cf17-9
0.289
JAN-GHE-fd8d85a5-6
0.283
PET-SGC-90aed325-1
0.281
BEN-DND-362d364a-6
0.281
PET-SGC-175e168c-1
0.280
TRY-UNI-1fd04853-1
0.280
DAR-DIA-fb20be43-4
0.278
BRU-LEF-ae0885ba-1
0.278
JAN-GHE-fd8d85a5-5
0.278
PAU-UNI-52c0427f-1
0.278
JAN-GHE-fd8d85a5-4
0.276
MAK-UNK-516d8086-26
0.273
THO-SYG-98fc3427-4
0.272
GAB-REV-df64cf17-15
0.267
PET-SGC-39d74636-2
0.266
JAN-UNI-2e92c4b1-3
0.266
MAR-TRE-8190bb11-86
0.265
THO-SYG-98fc3427-7
0.263
GAB-REV-df64cf17-3
0.262
MAK-UNK-ec98eaf6-22
0.260
GAB-REV-df64cf17-12
0.260
GAB-REV-df64cf17-21
0.257
MAK-UNK-ec98eaf6-37
0.255
GAB-REV-df64cf17-7
0.255
JAN-UNI-2e92c4b1-5
0.253
GAB-REV-df64cf17-2
0.248
PET-SGC-0f1d26ed-1
0.245
BEN-DND-362d364a-3
0.242
JOR-UNI-61e7b1d5-13
0.241
MAK-UNK-148caf23-4
0.240
THO-SYG-98fc3427-6
0.240
GAB-REV-4a4e2ff3-4
0.239
JOR-UNI-61e7b1d5-4
0.239
GAB-REV-df64cf17-22
0.236
DAR-DIA-fb20be43-5
0.235
JOR-UNI-61e7b1d5-1
0.235
JOR-UNI-61e7b1d5-23
0.235
THO-SYG-98fc3427-5
0.235
TRY-UNI-1fd04853-2
0.235
LIZ-THE-7023c732-2
0.234
GAB-REV-4a4e2ff3-10
0.233
SAD-SAT-cefd50cc-10
0.233
GAB-REV-df64cf17-6
0.231
JOR-UNI-61e7b1d5-17
0.231
NIR-THE-0d6461ce-7
0.231
GAB-REV-df64cf17-13
0.231
GAB-REV-df64cf17-4
0.229
JOR-UNI-61e7b1d5-15
0.229
PET-SGC-34dcf0dc-1
0.228
JOR-UNI-61e7b1d5-29
0.227
GAB-REV-df64cf17-18
0.226
MED-COV-4280ac29-34
0.226
DAR-DIA-fb20be43-1
0.225
GAB-REV-df64cf17-14
0.225
JOR-UNI-61e7b1d5-27
0.225
JOR-UNI-61e7b1d5-21
0.224
AAR-POS-d2a4d1df-5
0.222
GAB-REV-df64cf17-8
0.222
JOR-UNI-61e7b1d5-8
0.221
MAK-UNK-ec98eaf6-23
0.220
JOR-UNI-61e7b1d5-11
0.219
JOR-UNI-61e7b1d5-19
0.218
PAU-WEI-f734c343-3
0.217
JOR-UNI-61e7b1d5-6
0.217
GAB-REV-df64cf17-10
0.216
SID-ELM-433ea7f3-4
0.216
GAB-REV-df64cf17-17
0.216
JOR-UNI-61e7b1d5-31
0.215
MAK-UNK-148caf23-12
0.214