Molecular Properties | |
SMILES: | O=C(Cn1nnc2ccccc21)NCc1cccc(Cl)c1 |
MW: | 300.08 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 2.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-c79fcd02-1
0.614
BEN-DND-02317c5c-12
0.581
MAT-POS-3b92565d-14
0.581
MAT-POS-bfb445d4-1
0.581
BEN-DND-61647d40-12
0.581
AAR-POS-8a4e0f60-4
0.570
MAR-LAB-ca4662a6-8
0.560
EDJ-MED-06d94977-2
0.551
AAR-POS-8a4e0f60-6
0.548
AAR-POS-8a4e0f60-10
0.527
ALP-POS-6d04362c-2
0.489
CHO-MSK-00c5269a-3
0.489
ALP-POS-bad7201a-15
0.489
CHO-MSK-00c5269a-1
0.489
DAR-DIA-093892e4-12
0.478
DAR-DIA-093892e4-11
0.473
ALP-POS-75715966-5
0.473
CHO-MSK-00c5269a-2
0.473
MAT-POS-06036648-9
0.471
MAT-POS-bfb445d4-2
0.468
ALP-POS-75715966-1
0.457
MAT-POS-06036648-5
0.449
CHO-MSK-00c5269a-4
0.443
CHO-MSK-00c5269a-5
0.443
MAT-POS-06036648-1
0.443
MAT-POS-06036648-3
0.432
DAR-DIA-2964957d-6
0.430
VLA-UCB-34f3ed0c-2
0.430
MAR-TRE-4b834d9a-12
0.426
BEN-DND-61647d40-2
0.425
DAR-DIA-093892e4-7
0.422
MAR-TRE-4b834d9a-10
0.412
DAR-DIA-667e571f-1
0.412
MAR-LAB-ca4662a6-7
0.410
MAR-TRE-4b834d9a-22
0.406
ANT-DIA-62e4526e-1
0.400
VLA-UCB-05e51b3f-8
0.398
VLA-UCB-50c39ae8-5
0.398
EDJ-MED-06d94977-1
0.398
PET-UNK-b75fdf9f-1
0.396
DAR-DIA-6a49afbe-1
0.393
DAR-DIA-093892e4-2
0.390
MAR-TRE-b77b7921-8
0.390
UNK-UNK-2ede4078-94
0.386
JAN-GHE-5a013bed-2
0.386
ANT-OPE-45835252-1
0.386
NAU-LAT-3f5f3993-4
0.386
DAR-DIA-093892e4-3
0.384
MAR-TRE-f6f5f473-96
0.384
DAR-DIA-093892e4-6
0.384
MAR-TRE-d0525fbf-6
0.380
VLA-UNK-4cf5aa07-1
0.378
PET-UNK-158bee2a-1
0.378
ALP-POS-6d04362c-1
0.378
JIN-POS-6dc588a4-7
0.376
ALP-POS-bad7201a-14
0.375
MAT-POS-06036648-6
0.374
DAR-DIA-093892e4-10
0.373
OLG-UNK-911c2067-1
0.368
JAN-GHE-5a013bed-3
0.368
TRY-UNI-1fd04853-5
0.368
MAT-POS-06036648-2
0.367
DAR-DIA-093892e4-5
0.367
AAR-POS-8a4e0f60-1
0.367
DAR-DIA-093892e4-1
0.366
DAR-DIA-093892e4-9
0.366
UNK-UNK-2ede4078-18
0.365
ALP-POS-8ed8d9ec-15
0.365
ALP-POS-182116e9-1
0.363
RAL-THA-4a5dabff-1
0.363
MAT-POS-06036648-4
0.362
AAR-POS-8a4e0f60-5
0.361
ALP-POS-76eab5ce-2
0.360
MAR-LAB-ff9967db-30
0.360
DAR-DIA-093892e4-8
0.359
RAL-THA-4a5dabff-4
0.359
RUT-UNI-630c5802-18
0.358
RUT-UNI-630c5802-22
0.357
VLA-UNK-4cf5aa07-2
0.357
NAU-LAT-a5c7d7cb-11
0.356
EDJ-MED-50fe53e8-2
0.356
MAT-POS-f7918075-6
0.356
DAR-DIA-53551c05-14
0.354
PET-UNK-b75fdf9f-2
0.354
MAT-POS-0c8fa4a7-3
0.353
JIN-POS-6dc588a4-21
0.352
ALP-POS-c59291d4-4
0.351
NIC-BIO-a68395b7-4
0.349
EDJ-MED-c8e7a002-11
0.349
NAU-LAT-a5c7d7cb-10
0.349
RAL-THA-4a5dabff-8
0.346
VLA-UNK-411a133b-1
0.346
AAR-UNI-c25c2f1e-78
0.345
UNK-UNK-2ede4078-81
0.344
RUT-UNI-630c5802-17
0.344
RAL-THA-4a5dabff-3
0.344
ALP-POS-d2866bdf-1
0.344
AAR-POS-8a4e0f60-7
0.343
ALP-POS-6d04362c-5
0.343
RAL-THA-4a5dabff-2
0.343