Molecular Properties | |
SMILES: | CCNc1ncc(C#N)nc1Cc1ccc2c(c1)C(=O)NC2 |
MW: | 293.33 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 90.7 |
cLogP: | 1.61428 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-24
0.622
MAK-UNK-516d8086-3
0.571
GAB-REV-df64cf17-19
0.571
MAK-UNK-516d8086-22
0.553
MAK-UNK-516d8086-8
0.523
MAK-UNK-516d8086-17
0.523
MAK-UNK-516d8086-6
0.518
MAK-UNK-516d8086-1
0.518
MAK-UNK-516d8086-10
0.500
MAK-UNK-516d8086-11
0.494
MAK-UNK-516d8086-4
0.494
MAK-UNK-516d8086-25
0.489
GAB-REV-df64cf17-20
0.484
MAK-UNK-516d8086-2
0.455
MAK-UNK-516d8086-16
0.455
MAK-UNK-516d8086-7
0.438
MAK-UNK-516d8086-18
0.419
MAK-UNK-516d8086-9
0.383
MAK-UNK-516d8086-20
0.379
MAK-UNK-516d8086-21
0.354
MAK-UNK-516d8086-19
0.347
MAK-UNK-516d8086-13
0.337
MAK-UNK-516d8086-5
0.327
MAK-UNK-516d8086-32
0.300
MAK-UNK-516d8086-31
0.267
GAB-REV-df64cf17-7
0.255
MAR-TRE-8190bb11-86
0.253
GAB-REV-df64cf17-3
0.250
GAB-REV-df64cf17-12
0.248
GAB-REV-df64cf17-21
0.245
GAB-REV-df64cf17-15
0.243
GAB-REV-4a4e2ff3-4
0.239
JAN-GHE-fd8d85a5-1
0.237
GAB-REV-df64cf17-2
0.236
JOR-UNI-61e7b1d5-27
0.235
MAK-UNK-516d8086-26
0.235
GAB-REV-df64cf17-1
0.233
SAD-SAT-cefd50cc-10
0.233
GAB-REV-df64cf17-13
0.231
JOR-UNI-61e7b1d5-13
0.231
NIR-THE-0d6461ce-6
0.231
GAB-REV-df64cf17-4
0.229
JOR-UNI-61e7b1d5-29
0.227
GAB-REV-df64cf17-9
0.225
JOR-UNI-61e7b1d5-1
0.223
TRY-UNI-1fd04853-2
0.223
GAB-REV-4a4e2ff3-10
0.223
GAB-REV-df64cf17-8
0.222
AAR-POS-d2a4d1df-5
0.222
JOR-UNI-61e7b1d5-25
0.221
JOR-UNI-61e7b1d5-17
0.221
JAN-GHE-fd8d85a5-6
0.221
LIZ-THE-7023c732-2
0.221
GAB-REV-df64cf17-6
0.220
PET-SGC-0f1d26ed-1
0.220
PET-SGC-9a4d8c0f-1
0.220
TRY-UNI-1fd04853-1
0.219
PET-SGC-175e168c-1
0.219
NIR-THE-0d6461ce-7
0.219
JOR-UNI-61e7b1d5-4
0.218
JOR-UNI-61e7b1d5-15
0.218
MAR-TRE-6c5ef77a-12
0.218
PAU-WEI-f734c343-3
0.217
JOR-UNI-61e7b1d5-6
0.217
JAN-UNI-2e92c4b1-4
0.216
JAN-GHE-fd8d85a5-5
0.216
DAR-DIA-fb20be43-4
0.216
PAU-UNI-52c0427f-1
0.216
RAJ-NOV-842d5654-2
0.216
PET-SGC-34dcf0dc-1
0.216
BRU-LEF-ae0885ba-1
0.216
JOR-UNI-61e7b1d5-31
0.215
JOR-UNI-61e7b1d5-23
0.215
GAB-REV-df64cf17-14
0.214
JAN-UNI-2e92c4b1-3
0.214
PET-SGC-39d74636-2
0.214
JOR-UNI-61e7b1d5-21
0.214
JAN-GHE-fd8d85a5-4
0.214
GAB-REV-df64cf17-16
0.213
GAB-REV-df64cf17-5
0.213
GAB-REV-df64cf17-22
0.213
PET-SGC-90aed325-1
0.213
BEN-DND-362d364a-6
0.213
MAK-UNK-148caf23-4
0.211
JOR-UNI-61e7b1d5-8
0.211
JOR-UNI-61e7b1d5-11
0.209
GAB-REV-df64cf17-11
0.209
JOR-UNI-61e7b1d5-19
0.208
PET-SGC-f147f0b6-1
0.208
MAK-UNK-849bee6c-23
0.208
MAR-TRE-4f781e27-52
0.208
MAR-TRE-a3327163-71
0.207
BEN-VAN-ed886787-6
0.207
BEN-VAN-ed886787-13
0.207
ANN-UNI-26382800-1
0.207
MAR-TRE-6c5ef77a-92
0.206
MED-COV-4280ac29-34
0.205
BEN-VAN-ed886787-7
0.205
BEN-VAN-ed886787-5
0.205
BEN-VAN-ed886787-8
0.205