Molecular Properties | |
SMILES: | O=C1CCCN1c1cccc(-c2noc(-c3ccnc4[nH]ccc34)n2)c1 |
MW: | 345.12 |
Fraction sp3: | 0.16 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 87.91 |
cLogP: | 3.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
COM-UCB-8c7d23dc-14
0.646
BEN-VAN-5787f7d3-11
0.349
BEN-VAN-5787f7d3-12
0.336
MAR-TRE-2fd8122f-39
0.324
KOV-VNK-5e1a909f-8
0.319
KOV-VNK-5e1a909f-55
0.315
MAR-TRE-799db12b-69
0.311
MAK-UNK-7a704a63-7
0.305
MAK-UNK-c8c8f7e2-12
0.305
MAK-UNK-6435e6c2-4
0.301
MAK-UNK-c8c8f7e2-31
0.299
MAK-UNK-7a704a63-9
0.299
MAK-UNK-c8c8f7e2-15
0.298
MAK-UNK-c8c8f7e2-1
0.298
MAK-UNK-c8c8f7e2-20
0.298
MAK-UNK-7a704a63-8
0.298
MAR-TRE-799db12b-49
0.294
MAK-UNK-c8c8f7e2-5
0.293
MAK-UNK-c8c8f7e2-8
0.293
ALV-UNI-7ff1a6f9-44
0.292
KOV-VNK-5e1a909f-40
0.292
KOV-VNK-5e1a909f-54
0.291
MAK-UNK-c8c8f7e2-18
0.290
MAK-UNK-c8c8f7e2-16
0.289
KOV-VNK-5e1a909f-39
0.286
MAK-UNK-7a704a63-10
0.286
LON-WEI-8f408cad-1
0.286
AAR-POS-0daf6b7e-11
0.286
MAK-UNK-10dfa458-3
0.286
MAK-UNK-10dfa458-22
0.286
JAN-GHE-83b26c96-25
0.284
BEN-VAN-5787f7d3-10
0.283
MAK-UNK-c8c8f7e2-4
0.281
MAK-UNK-c8c8f7e2-2
0.281
MAK-UNK-c8c8f7e2-3
0.281
MAK-UNK-7a704a63-11
0.281
MAK-UNK-c8c8f7e2-17
0.280
MAK-UNK-c8c8f7e2-32
0.280
MAK-UNK-1e8f9e3c-6
0.279
MAK-UNK-c8c8f7e2-34
0.278
MAK-UNK-c8c8f7e2-33
0.278
MAK-UNK-c8c8f7e2-7
0.277
MAK-UNK-9159f8ed-7
0.277
KOV-VNK-5e1a909f-41
0.276
MAK-UNK-9159f8ed-3
0.273
KOV-VNK-5e1a909f-50
0.273
MAK-UNK-902cc841-3
0.272
AAR-UNI-c25c2f1e-61
0.272
MAR-TRE-9d18ae8c-65
0.270
MAK-UNK-c8c8f7e2-6
0.270
BEN-VAN-5787f7d3-1
0.270
ALV-UNI-7ff1a6f9-9
0.270
KOV-VNK-5e1a909f-33
0.268
MAK-UNK-10dfa458-23
0.267
KOV-VNK-5e1a909f-48
0.267
MAK-UNK-1e8f9e3c-5
0.261
MAK-UNK-1e8f9e3c-3
0.261
KOV-VNK-5e1a909f-49
0.260
KOV-VNK-5e1a909f-14
0.260
MAK-UNK-9159f8ed-6
0.259
MAK-UNK-1e8f9e3c-1
0.259
ALV-UNI-7ff1a6f9-39
0.259
BAR-COM-0f94fc3d-53
0.259
MAK-UNK-9159f8ed-5
0.256
MAK-UNK-9159f8ed-2
0.256
KOV-VNK-5e1a909f-11
0.256
MAK-UNK-7a704a63-6
0.255
MAK-UNK-c8c8f7e2-11
0.255
MAR-TRE-7f7bb9f0-54
0.255
COM-UCB-8c7d23dc-9
0.254
KOV-VNK-5e1a909f-37
0.254
ALV-UNI-7ff1a6f9-12
0.252
MAK-UNK-1e8f9e3c-2
0.252
MAK-UNK-1e8f9e3c-4
0.252
AAR-UNI-c25c2f1e-103
0.252
KOV-VNK-5e1a909f-34
0.252
MAK-UNK-9159f8ed-1
0.250
KOV-VNK-5e1a909f-9
0.250
KOV-VNK-5e1a909f-51
0.250
MAK-UNK-10dfa458-25
0.250
DOU-UNK-b5326f8f-9
0.248
MAK-UNK-7a704a63-24
0.248
VLA-UCB-1dbca3b4-13
0.246
MAK-UNK-7a704a63-5
0.245
MAK-UNK-c8c8f7e2-10
0.245
DOU-UNK-b5326f8f-7
0.245
KOV-VNK-5e1a909f-19
0.244
KOV-VNK-5e1a909f-35
0.244
MAK-UNK-902cc841-4
0.244
MAK-UNK-7a704a63-18
0.242
MAK-UNK-c8c8f7e2-41
0.242
KOV-VNK-5e1a909f-7
0.242
ALV-UNI-7ff1a6f9-6
0.241
KOV-VNK-5e1a909f-17
0.241
KOV-VNK-5e1a909f-36
0.240
BAR-COM-4e090d3a-60
0.239
MAK-UNK-9159f8ed-4
0.238
DAV-CRI-8c8dd668-1
0.238
KOV-VNK-5e1a909f-53
0.236
VLA-UCB-00f2c2b3-6
0.236