Molecular Properties | |
SMILES: | O=C(Cn1ncc2ccccc21)Nc1cccc(Cl)c1 |
MW: | 285.07 |
Fraction sp3: | 0.07 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 46.92 |
cLogP: | 3.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1147579212 |
AAR-POS-d2a4d1df-1
BEN-DND-61647d40-1
0.553
BEN-DND-61647d40-12
0.527
MAT-POS-bfb445d4-1
0.527
MAT-POS-3b92565d-14
0.527
BEN-DND-02317c5c-12
0.527
BEN-DND-61647d40-13
0.493
BEN-DND-02317c5c-11
0.493
JIN-POS-6dc588a4-1
0.493
BEN-DND-61647d40-14
0.456
JAG-UCB-252a2f58-1
0.446
PET-UNK-8922bd3c-1
0.425
MIC-UNK-66895286-2
0.405
JAG-UCB-77729364-1
0.398
MIC-UNK-66895286-3
0.395
EDJ-MED-49816e9b-1
0.390
MAR-TRE-3e4e6814-40
0.385
MAR-TRE-d0525fbf-58
0.383
MIC-UNK-66895286-4
0.380
BEN-DND-61647d40-15
0.378
MIC-UNK-66895286-5
0.378
MAR-TRE-3e4e6814-83
0.378
BEN-DND-61647d40-16
0.373
MAR-TRE-74c6519b-62
0.370
DAR-DIA-23aa0b97-14
0.370
JAN-GHE-83b26c96-19
0.370
WAR-XCH-eb7b662f-7
0.370
JOR-UNI-2fc98d0b-7
0.370
ALP-POS-3b848b35-3
0.366
DAR-DIA-23aa0b97-12
0.357
JAG-UCB-cedd89ab-8
0.342
TRY-UNI-714a760b-12
0.342
DAR-DIA-23aa0b97-13
0.338
AAR-UNI-c25c2f1e-46
0.333
SEA-TRI-6388eba6-1
0.333
MIC-UNK-10ba69b4-1
0.330
TRY-UNI-714a760b-9
0.329
BEN-DND-61647d40-20
0.329
NAU-LAT-4ce8bf23-1
0.326
MIC-UNK-8373f97b-3
0.326
NAU-LAT-4ce8bf23-3
0.326
BEN-VAN-ed886787-18
0.323
MIC-UNK-8373f97b-1
0.322
JAG-UCB-ef2c0e8e-3
0.322
BEN-DND-61647d40-19
0.317
MAT-POS-06036648-9
0.315
SEA-TRI-5a552082-1
0.314
JAN-LUN-3e0f9c09-1
0.310
NAU-LAT-a5c7d7cb-11
0.310
SEA-TRI-2dd971ce-1
0.310
JAG-UCB-cedd89ab-6
0.310
JAN-LUN-8953ce76-6
0.310
MIC-UNK-10ba69b4-2
0.309
ALP-POS-f13221e1-3
0.307
MIC-UNK-10ba69b4-3
0.305
EDG-MED-0da5ad92-2
0.304
JAN-GHE-d851b096-2
0.303
RUB-POS-1325a9ea-15
0.303
JOH-UNI-c7afdb96-5
0.301
RUB-POS-1325a9ea-14
0.300
PET-UNK-e274cad4-1
0.300
AAR-POS-fca48359-9
0.299
FAR-UNI-736b943a-7
0.299
JAG-UCB-cedd89ab-7
0.299
JIN-POS-6dc588a4-9
0.299
ALP-POS-95b75b4d-8
0.296
SAM-UNK-2684b532-13
0.296
PET-UNK-8df914d1-4
0.296
JAG-UCB-ef2c0e8e-10
0.296
MAT-POS-3cc264b0-1
0.295
EDJ-MED-50fe53e8-1
0.295
EDJ-MED-6e43a462-7
0.295
JAN-GHE-5a013bed-9
0.295
EDJ-MED-49816e9b-3
0.293
RUB-POS-1325a9ea-18
0.292
TRY-UNI-9f475305-11
0.291
MAT-POS-bb423b95-5
0.291
ALP-POS-f13221e1-4
0.291
MAT-POS-3b92565d-13
0.289
JOH-UNI-6fede743-2
0.289
MIC-UNK-66895286-1
0.287
ADA-UCB-6c2cb422-1
0.287
MIC-UNK-cdc2493e-24
0.287
JAN-GHE-d851b096-3
0.286
EDJ-MED-50fe53e8-3
0.284
ALP-POS-76eab5ce-2
0.284
MAR-TRE-b77b7921-60
0.283
MAR-TRE-f5c2d31c-11
0.283
LUI-IND-a1be81af-2
0.283
MIC-UNK-f2576da4-1
0.283
RIT-AID-d1f3f5d2-1
0.282
MAT-POS-06036648-3
0.282
DAR-DIA-3e9bbd81-15
0.281
PET-UNK-e274cad4-6
0.281
DAR-DIA-2964957d-1
0.281
JOH-UNI-6fede743-4
0.281
PET-UNK-b1ef24dc-1
0.281
EDG-MED-0da5ad92-13
0.280
MAR-TRE-74c6519b-88
0.280
MAR-TRE-f5c2d31c-36
0.280
MAR-TRE-6a44bbf2-3
0.279