Molecular Properties | |
SMILES: | CN(C(=O)c1ccc2c(c1)CN(C(=O)CCl)CC2c1c[nH]cn1)c1c[nH]cn1 |
MW: | 398.854 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 97.98 |
cLogP: | 2.1223 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SAL-INS-1c7a5a55-3
0.735
SAL-INS-1c7a5a55-2
0.713
SAL-INS-1c7a5a55-6
0.485
SAL-INS-1c7a5a55-1
0.443
MIH-UNI-e573136b-10
0.330
IND-SYN-6c8299e8-3
0.327
NIR-THE-c331be7a-6
0.327
NIR-THE-c331be7a-1
0.327
AAR-POS-0daf6b7e-14
0.323
NIR-THE-c331be7a-2
0.320
DAR-DIA-caba39e3-2
0.314
DAR-DIA-caba39e3-1
0.313
THO-SYG-4e0386bb-3
0.312
SAL-INS-1c7a5a55-5
0.306
DAR-DIA-caba39e3-5
0.305
DAR-DIA-caba39e3-6
0.305
DAR-DIA-caba39e3-7
0.302
MIH-UNI-e573136b-9
0.300
NIR-THE-c331be7a-4
0.300
DAR-DIA-caba39e3-4
0.298
JAR-IMP-ed466bb3-2
0.295
DAR-DIA-caba39e3-3
0.295
MIH-UNI-e573136b-15
0.292
DAR-DIA-caba39e3-9
0.291
DAR-DIA-caba39e3-8
0.290
DAV-CRI-3fe943ba-1
0.288
NIR-THE-c331be7a-3
0.287
DAV-CRI-3fe943ba-2
0.286
TAM-UNI-d1c3dd9f-10
0.286
TAM-UNI-d1c3dd9f-7
0.284
THO-SYG-4e0386bb-1
0.284
TAM-UNI-d1c3dd9f-11
0.281
DAR-DIA-caba39e3-10
0.280
THO-SYG-4e0386bb-2
0.279
JAN-LUN-04aedcc0-5
0.279
JAN-LUN-04aedcc0-6
0.277
TAM-UNI-d1c3dd9f-3
0.277
MIH-UNI-e573136b-12
0.277
NIR-THE-c331be7a-5
0.277
DAR-DIA-caba39e3-12
0.276
TAM-UNI-d1c3dd9f-8
0.272
DAR-DIA-caba39e3-13
0.268
DAR-DIA-caba39e3-11
0.266
MAK-UNK-702fb7d3-9
0.259
SEA-TRI-fac72a44-1
0.250
MAK-UNK-702fb7d3-14
0.248
SEA-TRI-38830027-1
0.246
NIM-UNI-05f93fcc-17
0.245
JAN-LUN-04aedcc0-7
0.244
ALE-SYG-bac15da4-2
0.243
MAK-UNK-702fb7d3-13
0.241
NJA-MAN-00c90aa2-8
0.241
MIH-UNI-e573136b-11
0.238
MAK-UNK-702fb7d3-12
0.238
LON-WEI-120e5cf5-5
0.237
VIK-SYN-9a3d118a-8
0.235
MAK-UNK-702fb7d3-10
0.234
JOH-MSK-2d8052dc-1
0.234
SAD-SAT-c989feaa-10
0.234
MAT-POS-7174c657-3
0.234
WAR-XCH-bdd24732-20
0.230
WAR-XCH-bdd24732-22
0.230
THO-SYG-f9b2970d-4
0.227
TAM-UNI-d1c3dd9f-4
0.225
MAK-UNK-72659d64-14
0.225
GIA-UNK-a79af1bc-1
0.224
SAD-SAT-1b030f84-6
0.223
JOH-UNI-e19b918c-10
0.222
YOI-UNK-12211982-2
0.221
YOI-UNK-a533afbc-2
0.221
MAK-UNK-702fb7d3-11
0.221
SAL-INS-1c7a5a55-9
0.219
NAU-LAT-64f4b287-5
0.219
WAR-XCH-bdd24732-19
0.218
MAK-UNK-849bee6c-15
0.218
WAR-XCH-b0339bbe-3
0.218
MAK-UNK-3e0761f8-6
0.217
DOU-UNK-b5326f8f-14
0.217
BEN-BAS-c3742787-1
0.217
PET-UNK-7279c968-7
0.216
SAD-SAT-29425be4-24
0.216
NIM-UNI-43fe0159-11
0.216
SAL-INS-1c7a5a55-10
0.216
JAR-IMP-ed466bb3-8
0.215
SAD-SAT-29425be4-11
0.214
REN-UFA-aaaed2d6-3
0.213
EDJ-MED-378a25ea-8
0.213
MAK-UNK-849bee6c-14
0.212
AVI-UNI-70b60925-2
0.212
REN-UFA-aaaed2d6-5
0.212
NIM-UNI-310206f0-61
0.212
NIM-UNI-310206f0-44
0.212
MAK-UNK-8fdbca50-23
0.212
SAD-SAT-29425be4-19
0.211
MAT-POS-4223bc15-33
0.211
MAK-UNK-702fb7d3-8
0.211
HAR-NEW-e34cb1ae-5
0.211
MAK-UNK-702fb7d3-17
0.210
PET-UNK-9b23ef84-3
0.210
BEN-DND-a02b439d-2
0.210