Molecular Properties | |
SMILES: | O=C(Cc1cn[nH]c1)Nc1cccc(Cl)c1 |
MW: | 235.05 |
Fraction sp3: | 0.09 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 57.78 |
cLogP: | 2.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALE-HEI-f28a35b5-9
MIC-UNK-66895286-3
0.556
EDJ-MED-49816e9b-1
0.547
MIC-UNK-66895286-1
0.532
MIC-UNK-66895286-4
0.507
BEN-DND-61647d40-16
0.472
DAR-DIA-23aa0b97-12
0.472
PET-UNK-8922bd3c-1
0.472
BEN-DND-61647d40-15
0.458
MIC-UNK-66895286-5
0.458
JAN-GHE-5a013bed-9
0.431
EDG-MED-0da5ad92-2
0.418
JAG-UCB-252a2f58-1
0.414
BEN-DND-61647d40-11
0.405
JOR-UNI-2fc98d0b-7
0.394
JAN-GHE-83b26c96-19
0.394
DAR-DIA-23aa0b97-14
0.394
WAR-XCH-eb7b662f-7
0.394
BEN-DND-61647d40-14
0.390
BEN-DND-61647d40-13
0.387
JIN-POS-6dc588a4-1
0.387
BEN-DND-02317c5c-11
0.387
EDG-MED-0da5ad92-13
0.386
EDG-MED-0da5ad92-21
0.386
BEN-DND-02317c5c-12
0.382
MAT-POS-bfb445d4-1
0.382
MAT-POS-3b92565d-14
0.382
BEN-DND-61647d40-12
0.382
TRY-UNI-714a760b-12
0.380
EDG-MED-0da5ad92-12
0.380
JAG-UCB-cedd89ab-8
0.380
JUL-TUD-06b2044f-43
0.378
DAR-DIA-23aa0b97-13
0.377
JAN-LUN-8953ce76-6
0.377
JAN-LUN-3e0f9c09-1
0.377
MIC-UNK-8373f97b-3
0.373
TRY-UNI-9f475305-11
0.373
AAR-UNI-c25c2f1e-46
0.371
MIC-UNK-8373f97b-1
0.370
VLA-UCB-00f2c2b3-7
0.368
SEA-TRI-6388eba6-1
0.368
MIC-UNK-5ce21166-2
0.368
BEN-DND-61647d40-20
0.366
TRY-UNI-714a760b-9
0.365
MIC-UNK-10ba69b4-3
0.365
JAG-UCB-cedd89ab-7
0.364
SEA-TRI-5a552082-1
0.364
SEA-TRI-2dd971ce-1
0.359
JAG-UCB-cedd89ab-6
0.359
TRY-UNI-714a760b-6
0.356
JIN-POS-6dc588a4-3
0.355
MIC-UNK-10ba69b4-2
0.353
BEN-DND-61647d40-19
0.351
ALP-POS-3b848b35-3
0.351
JAN-GHE-5a013bed-6
0.348
PET-UNK-158bee2a-2
0.348
ALP-POS-95b75b4d-8
0.347
PET-UNK-8df914d1-4
0.347
JAG-UCB-ef2c0e8e-10
0.347
SAM-UNK-2684b532-13
0.347
VLA-UNK-411a133b-1
0.347
RAL-MED-2de63afb-12
0.347
JOH-UNI-abfda500-5
0.347
ANN-UNI-98d2bf15-3
0.347
SAD-SAT-24589cd1-2
0.347
JOH-UNI-abfda500-4
0.347
BAR-COM-4e090d3a-11
0.346
RAL-MED-2de63afb-7
0.346
MIC-UNK-10ba69b4-1
0.345
NAU-LAT-e1818702-10
0.343
JAN-GHE-5a013bed-7
0.343
DAR-DIA-23aa0b97-16
0.343
EDJ-MED-49816e9b-3
0.342
ALP-POS-95b75b4d-6
0.342
MAK-UNK-a7b37c5e-4
0.338
JAN-GHE-5a013bed-11
0.338
JAN-GHE-5a013bed-8
0.338
PET-UNK-158bee2a-4
0.338
DAR-DIA-23aa0b97-4
0.338
JIN-POS-6dc588a4-4
0.338
PET-UNK-8df914d1-5
0.338
SAM-UNK-2684b532-12
0.338
MIC-UNK-d935700b-1
0.338
RUB-POS-1325a9ea-19
0.338
ALP-POS-f13221e1-4
0.338
MAT-POS-bb423b95-5
0.338
BAR-COM-4e090d3a-39
0.338
RAL-MED-2de63afb-3
0.338
EDJ-MED-c8e7a002-16
0.338
MAT-POS-199e2e7c-2
0.338
RAL-MED-2de63afb-1
0.338
JAG-UCB-77729364-1
0.337
BEN-VAN-ed886787-18
0.337
JAN-GHE-5a013bed-10
0.333
MAT-POS-14ad9fe9-1
0.333
VLA-UNK-411a133b-2
0.333
EDJ-MED-c8e7a002-12
0.329
JAG-UCB-a3ef7265-17
0.329
PET-UNK-158bee2a-3
0.329
JAG-UCB-a3ef7265-15
0.329
NAU-LAT-e1818702-7
0.329