Molecular Properties | |
SMILES: | O=C(Nc1cccc(Cl)c1)Nc1nccc2[nH]ncc12 |
MW: | 287.06 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 82.7 |
cLogP: | 3.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
MAT-POS-199e2e7c-2
0.589
JAG-UCB-cedd89ab-6
0.575
DAR-DIA-23aa0b97-14
0.464
JOR-UNI-2fc98d0b-7
0.464
WAR-XCH-eb7b662f-7
0.464
JAN-GHE-83b26c96-19
0.464
TRY-UNI-714a760b-12
0.427
JAG-UCB-cedd89ab-8
0.427
DAR-DIA-23aa0b97-13
0.425
JAN-LUN-8953ce76-6
0.402
JAN-LUN-3e0f9c09-1
0.402
TRY-UNI-714a760b-9
0.392
MIC-UNK-66895286-3
0.390
MIC-UNK-66895286-2
0.364
EDJ-MED-c8e7a002-16
0.349
AAR-UNI-c25c2f1e-46
0.346
VLA-UCB-00f2c2b3-7
0.345
BEN-DND-61647d40-20
0.342
DAR-DIA-23aa0b97-12
0.337
EDJ-MED-49816e9b-1
0.333
BEN-DND-61647d40-19
0.329
DAR-DIA-03336633-3
0.327
ALP-POS-91609ae9-3
0.326
MIC-UNK-66895286-5
0.326
BEN-DND-61647d40-15
0.326
MIC-UNK-66895286-4
0.325
JAG-UCB-ef2c0e8e-10
0.325
PET-UNK-8922bd3c-1
0.322
BEN-DND-61647d40-16
0.322
SID-ELM-8b394441-14
0.321
SID-ELM-b654bfa2-18
0.318
EDJ-MED-c8e7a002-15
0.315
JAN-GHE-d851b096-2
0.315
SEA-TRI-6388eba6-1
0.314
SEA-TRI-5a552082-1
0.310
RUB-POS-1325a9ea-13
0.307
SEA-TRI-2dd971ce-1
0.307
BEN-DND-61647d40-14
0.303
MAR-TRE-f5c2d31c-36
0.303
JAG-UCB-252a2f58-1
0.301
ABB-MCD-f549d731-1
0.299
BEN-DND-61647d40-11
0.299
BEN-DND-61647d40-13
0.299
JIN-POS-6dc588a4-1
0.299
BEN-DND-02317c5c-11
0.299
DAR-DIA-23aa0b97-15
0.299
SID-ELM-2583a2cd-10
0.298
BAR-COM-21d20d65-5
0.297
NAU-LAT-4ce8bf23-3
0.295
CAS-DEP-167c18e3-4
0.294
EDG-MED-0da5ad92-21
0.293
DAR-DIA-2964957d-3
0.292
MIC-UNK-d935700b-1
0.287
WAR-XCH-eb7b662f-3
0.286
EDJ-MED-c8e7a002-11
0.284
NAU-LAT-a5c7d7cb-10
0.284
WIL-UNI-5578df48-21
0.284
MIC-UNK-66895286-1
0.284
JAN-GHE-d851b096-3
0.283
VLA-UCB-1dbca3b4-9
0.283
JOH-UNI-c7afdb96-5
0.282
MAT-POS-bfb445d4-1
0.281
BEN-DND-02317c5c-12
0.281
BEN-DND-61647d40-12
0.281
MAT-POS-3b92565d-14
0.281
MAR-TRE-f5c2d31c-11
0.280
WAR-XCH-eb7b662f-6
0.278
DAR-DIA-2964957d-2
0.276
WIL-UNI-5578df48-19
0.276
JAN-GHE-5a013bed-9
0.275
CHR-SOS-7098f804-12
0.275
JAN-GHE-d851b096-9
0.273
TRY-UNI-9f475305-11
0.273
NAU-LAT-356bd3c2-10
0.273
WIL-UNI-5578df48-22
0.271
NAU-LAT-4ce8bf23-1
0.270
WAR-XCH-eb7b662f-4
0.268
EDG-MED-0da5ad92-2
0.268
JAN-GHE-5a013bed-11
0.268
MAK-UNK-0cb6a3ad-11
0.267
VLA-UCB-1dbca3b4-11
0.266
VLA-UCB-1dbca3b4-8
0.266
JAG-UCB-77729364-1
0.265
SAD-SAT-135344c3-8
0.265
WAR-XCH-eb7b662f-1
0.265
DAR-DIA-23aa0b97-5
0.265
ANN-UNI-26382800-4
0.265
JOR-UNI-61e7b1d5-2
0.265
WAR-XCH-eb7b662f-5
0.265
JAN-GHE-d851b096-4
0.265
SID-ELM-8b394441-13
0.264
MAR-TRE-3e4e6814-40
0.264
SEA-TRI-04ff6e57-1
0.264
RUB-POS-1325a9ea-12
0.264
DAR-DIA-0cde14eb-6
0.264
MIC-UNK-8373f97b-1
0.263
MAK-UNK-f203cb68-3
0.263
MIC-UNK-10ba69b4-3
0.263
JAG-UCB-52b62a6f-16
0.262
EDJ-MED-49816e9b-2
0.262