Molecular Properties | |
SMILES: | O=C(Nc1cc2cc(C(=O)O)cnc2[nH]1)Nc1cc(O)ccc1C1CN(C(=O)CCl)Cc2ccc(O)cc21 |
MW: | 535.944 |
Fraction sp3: | 0.15 |
HBA: | 6 |
HBD: | 6 |
Rotatable Bonds: | 5 |
TPSA: | 167.88 |
cLogP: | 4.0292 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
JAN-LUN-04aedcc0-6
0.796
JAN-LUN-04aedcc0-7
0.596
JAN-LUN-04aedcc0-4
0.573
JAN-LUN-04aedcc0-3
0.403
MIH-UNI-e573136b-10
0.345
JAN-LUN-04aedcc0-1
0.344
THO-SYG-4e0386bb-1
0.339
JAN-LUN-04aedcc0-2
0.324
MIH-UNI-e573136b-15
0.322
THO-SYG-4e0386bb-2
0.320
AAR-POS-0daf6b7e-14
0.303
NIR-THE-c331be7a-6
0.296
NIR-THE-c331be7a-2
0.291
DAR-DIA-caba39e3-8
0.287
THO-SYG-4e0386bb-3
0.286
DAR-DIA-caba39e3-1
0.284
MIH-UNI-e573136b-9
0.284
NIR-THE-c331be7a-4
0.284
NIR-THE-c331be7a-1
0.284
SAL-INS-1c7a5a55-3
0.283
SAL-INS-1c7a5a55-2
0.282
TAM-UNI-d1c3dd9f-7
0.282
SAL-INS-1c7a5a55-4
0.279
DAR-DIA-caba39e3-13
0.277
DAR-DIA-caba39e3-7
0.276
DAV-CRI-3fe943ba-1
0.276
DAR-DIA-caba39e3-12
0.275
DAR-DIA-caba39e3-2
0.275
DAR-DIA-caba39e3-3
0.271
TAM-UNI-d1c3dd9f-8
0.271
SAL-INS-1c7a5a55-5
0.270
DAR-DIA-caba39e3-10
0.269
DAR-DIA-caba39e3-9
0.268
SAL-INS-1c7a5a55-6
0.267
DAR-DIA-caba39e3-4
0.266
IND-SYN-6c8299e8-3
0.266
TAM-UNI-d1c3dd9f-3
0.266
NIR-THE-c331be7a-5
0.266
MIH-UNI-e573136b-12
0.266
TAM-UNI-d1c3dd9f-10
0.264
DAV-CRI-3fe943ba-2
0.264
SAL-INS-1c7a5a55-1
0.262
TAM-UNI-d1c3dd9f-11
0.261
JAR-IMP-ed466bb3-2
0.260
AVI-UNI-70b60925-1
0.258
DAR-DIA-caba39e3-11
0.257
MAK-UNK-702fb7d3-12
0.256
DAR-DIA-caba39e3-5
0.254
DAR-DIA-caba39e3-6
0.254
MAK-UNK-702fb7d3-10
0.253
NIR-THE-c331be7a-3
0.248
JAR-IMP-ed466bb3-12
0.248
MAT-POS-4223bc15-35
0.246
RAL-THA-6e4c80cf-4
0.245
MAT-POS-4223bc15-33
0.243
SEA-TRI-fac72a44-1
0.243
SEA-TRI-38830027-1
0.239
MAK-UNK-849bee6c-8
0.237
MAK-UNK-702fb7d3-13
0.236
MAK-UNK-702fb7d3-14
0.234
DAV-CRI-f4772df7-3
0.234
MAK-UNK-702fb7d3-11
0.233
MAK-UNK-5d2caa6f-13
0.233
EDJ-MED-378a25ea-17
0.232
DAN-LON-a5fc619e-7
0.232
JAR-IMP-ed466bb3-8
0.231
VLA-UNK-5b0345c3-2
0.231
MAT-POS-5cd9ea36-3
0.231
RAV-REL-e0cd5b56-3
0.231
SAD-SAT-89668ff1-3
0.230
MAK-UNK-e4a48a85-27
0.230
EDJ-MED-378a25ea-31
0.229
AVI-UNI-70b60925-2
0.228
MAT-POS-dd3ad2b5-2
0.228
PET-UNK-9b23ef84-2
0.228
MAK-UNK-849bee6c-25
0.228
MAK-UNK-702fb7d3-9
0.228
JAR-IMP-ed466bb3-6
0.227
MAT-POS-5cd9ea36-2
0.225
SEL-UNI-49ab05bd-5
0.225
MAT-POS-4223bc15-21
0.225
EDJ-MED-c40d95bc-2
0.225
MED-COV-4280ac29-1
0.225
WAR-XCH-b0339bbe-3
0.224
LON-WEI-120e5cf5-14
0.224
AVI-UNI-c9bf710f-1
0.223
MAK-UNK-849bee6c-20
0.223
EDJ-MED-378a25ea-1
0.222
ALF-EVA-07677224-9
0.221
VLA-UNK-5b0345c3-3
0.221
MAK-UNK-849bee6c-26
0.221
TAT-ENA-80bfd3e5-10
0.221
MAK-UNK-10799360-3
0.219
NIY-UNK-62612a68-2
0.219
MAT-POS-dc2604c4-3
0.219
ALP-POS-07e1ed01-1
0.219
MAT-POS-777f5926-3
0.219
MAT-POS-777f5926-4
0.219
MAK-UNK-c97f7c8f-2
0.218
MAK-UNK-10dfa458-40
0.218