Molecular Properties | |
SMILES: | N#Cc1cnc(N)c(Cc2ccc3c(c2)C(=O)NC3)c1 |
MW: | 264.288 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 91.8 |
cLogP: | 1.36968 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
aniline
AAR-POS-d2a4d1df-30
MAK-UNK-516d8086-1
0.662
MAK-UNK-516d8086-8
0.645
MAK-UNK-516d8086-3
0.636
MAK-UNK-516d8086-10
0.636
GAB-REV-df64cf17-19
0.636
MAK-UNK-516d8086-11
0.628
MAK-UNK-516d8086-16
0.544
MAK-UNK-516d8086-4
0.531
MAK-UNK-516d8086-17
0.524
MAK-UNK-516d8086-25
0.506
MAK-UNK-516d8086-22
0.482
GAB-REV-df64cf17-20
0.466
MAK-UNK-516d8086-23
0.455
MAK-UNK-516d8086-6
0.430
MAK-UNK-516d8086-24
0.427
MAK-UNK-516d8086-9
0.425
MAK-UNK-516d8086-7
0.419
MAK-UNK-516d8086-18
0.400
MAK-UNK-516d8086-32
0.378
MAK-UNK-516d8086-13
0.374
MAK-UNK-516d8086-20
0.374
MAK-UNK-516d8086-21
0.363
MAK-UNK-516d8086-5
0.363
MAR-UNI-9d4da90d-2
0.333
MAK-UNK-516d8086-19
0.326
MAR-UNI-9d4da90d-6
0.310
MAK-UNK-516d8086-26
0.290
MAK-UNK-516d8086-31
0.284
MAR-TRE-8190bb11-86
0.255
JAN-UNI-2e92c4b1-4
0.244
GAB-REV-df64cf17-9
0.240
JAN-GHE-fd8d85a5-1
0.239
BEN-DND-61647d40-7
0.237
PET-SGC-9a4d8c0f-1
0.235
GAB-REV-df64cf17-1
0.235
NIR-THE-0d6461ce-6
0.232
JAN-GHE-fd8d85a5-11
0.232
THO-SYG-98fc3427-4
0.230
JAN-GHE-fd8d85a5-5
0.229
JOH-UNK-14e6adc5-6
0.228
GAB-REV-4a4e2ff3-10
0.224
JAN-GHE-fd8d85a5-6
0.222
DAR-DIA-23aa0b97-3
0.221
TRY-UNI-1fd04853-1
0.220
PET-SGC-175e168c-1
0.220
GAB-REV-df64cf17-15
0.220
GAB-REV-4a4e2ff3-4
0.219
TRY-UNI-bbd40bb4-1
0.218
DAR-DIA-23aa0b97-4
0.217
PET-SGC-34dcf0dc-1
0.216
DAR-DIA-fb20be43-4
0.216
BRU-LEF-ae0885ba-1
0.216
PAU-UNI-52c0427f-1
0.216
GAB-REV-df64cf17-3
0.216
MAK-UNK-148caf23-12
0.215
JAN-GHE-fd8d85a5-4
0.214
GAB-REV-df64cf17-12
0.214
BEN-DND-362d364a-6
0.213
MAR-TRE-3724962b-28
0.213
PET-SGC-90aed325-1
0.213
MAK-UNK-30aad1f1-16
0.212
THO-SYG-98fc3427-7
0.212
THO-SYG-cc9e9a11-7
0.211
GAB-REV-df64cf17-7
0.211
THO-SYG-98fc3427-6
0.210
JUL-TUD-06b2044f-91
0.210
MAR-TRE-a9136c7b-4
0.209
PET-SGC-f147f0b6-1
0.209
PET-SGC-0f1d26ed-1
0.208
MAK-UNK-30aad1f1-3
0.208
MAR-TRE-4f781e27-52
0.208
TRY-UNI-1fd04853-12
0.206
THO-SYG-98fc3427-5
0.205
DAR-DIA-23aa0b97-6
0.204
MAK-UNK-148caf23-21
0.203
LIZ-THE-7023c732-1
0.202
PET-SGC-39d74636-2
0.202
DAR-DIA-23aa0b97-17
0.202
DAR-DIA-23aa0b97-7
0.202
JAN-UNI-2e92c4b1-3
0.202
JAN-UNI-2e92c4b1-5
0.202
MAR-TRE-c317dd82-28
0.202
TRY-UNI-714a760b-19
0.202
MAK-UNK-30aad1f1-12
0.202
MAK-UNK-ec98eaf6-22
0.202
DAR-DIA-23aa0b97-18
0.202
UNK-CYC-68f84b31-91
0.202
GAB-REV-df64cf17-2
0.202
MAK-UNK-30aad1f1-7
0.202
THO-SYG-cc9e9a11-3
0.202
TRY-UNI-69298daf-4
0.202
MAK-UNK-148caf23-20
0.202
MAR-TRE-3724962b-4
0.200
MAK-UNK-748f8b7a-6
0.200
TRY-UNI-1fd04853-2
0.200
JOR-UNI-61e7b1d5-1
0.200
JOR-UNI-61e7b1d5-13
0.200
DAR-DIA-fb20be43-17
0.200
JOR-UNI-61e7b1d5-8
0.200
JOR-UNI-61e7b1d5-4
0.198