Molecular Properties | |
SMILES: | Cc1ccncc1N1C(=O)Cc2ccc(NC(=O)c3ncnc4[nH]ccc34)cc21 |
MW: | 384.13 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 103.87 |
cLogP: | 3.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-00f2c2b3-4
0.341
KIM-UNI-60f168f5-2
0.304
KIM-UNI-60f168f5-3
0.297
KIM-UNI-60f168f5-4
0.297
KIM-UNI-60f168f5-6
0.294
PET-UNK-5eca9d1d-3
0.292
KIM-UNI-60f168f5-5
0.282
VLA-UCB-1dbca3b4-4
0.278
PET-UNK-eda34f30-1
0.273
RAF-POL-950dada1-7
0.265
PET-SGC-05cff2e1-1
0.260
HAR-NEW-e34cb1ae-4
0.258
PET-UNK-7a31b064-3
0.254
JAG-UCB-cedd89ab-1
0.252
DOU-UNK-b5326f8f-8
0.252
RAL-THA-901e9a10-7
0.250
BRU-LEF-c49414a7-1
0.250
VLA-UCB-00f2c2b3-1
0.250
VLA-UCB-00f2c2b3-3
0.250
MAR-TRE-2fd8122f-41
0.250
DOU-UNK-b5326f8f-7
0.248
PET-UNK-5eca9d1d-1
0.248
MAK-UNK-7a704a63-16
0.248
MAK-UNK-c8c8f7e2-39
0.248
MAK-UNK-129dcd6f-4
0.246
VLA-UCB-00f2c2b3-5
0.245
DOU-UNK-b5326f8f-4
0.244
DAR-DIA-0cde14eb-14
0.243
EDJ-MED-49816e9b-4
0.241
NAU-LAT-b7d8c353-5
0.240
DOU-UNK-b5326f8f-5
0.239
DAR-DIA-6a508060-6
0.239
MAT-POS-b3e365b9-3
0.239
MAT-POS-b3e365b9-4
0.239
KIM-UNI-60f168f5-10
0.239
JAN-GHE-f4ca5a00-13
0.239
BRU-CON-c4e3408a-1
0.239
MAR-TRE-3e4e6814-92
0.239
DAR-DIA-0cde14eb-9
0.239
ARI-TAT-5792557e-12
0.239
TRY-UNI-714a760b-16
0.238
MAR-TRE-2fd8122f-61
0.238
SEL-UNI-cd366922-4
0.238
MAR-UCB-ad2ff052-1
0.238
DUN-NEW-f8ce3686-16
0.237
PET-UNK-7a31b064-4
0.237
BEN-DND-6de5dfa0-8
0.237
COM-UCB-1ef4e90e-23
0.236
TAM-UNI-c140e31a-7
0.235
TAM-UNI-c140e31a-12
0.235
BEN-DND-22e6b372-4
0.234
TAM-UNI-c140e31a-6
0.233
TAM-UNI-c140e31a-14
0.233
MAT-POS-590ac91e-7
0.233
MED-UNK-e6e8ef8a-1
0.233
MAR-TRE-4b834d9a-43
0.233
KEI-TRE-d5e2018a-58
0.233
NAU-LAT-30527ac5-2
0.233
KIM-UNI-60f168f5-7
0.233
KIM-UNI-60f168f5-8
0.233
MAK-UNK-129dcd6f-18
0.233
MAK-UNK-129dcd6f-12
0.232
DAR-DIA-0cde14eb-8
0.232
PET-UNK-5eca9d1d-2
0.232
MAR-TRE-a9136c7b-42
0.232
BEN-DND-6de5dfa0-5
0.231
MAR-TRE-4b834d9a-26
0.231
BAR-COM-0f94fc3d-11
0.231
RAL-THA-901e9a10-8
0.231
RAL-THA-901e9a10-2
0.231
BEN-DND-6de5dfa0-13
0.231
BEN-DND-93268d01-12
0.231
WIL-UNI-d4749f31-2
0.231
MAR-TRE-b77b7921-83
0.231
MAK-UNK-9e4a73aa-31
0.231
MIC-UNK-e8a42ca9-1
0.230
MIC-UNK-2744a8e2-10
0.230
PET-UNK-f4e47ebd-10
0.230
MAK-UNK-129dcd6f-17
0.230
EDJ-MED-e66f2cc5-1
0.230
MAR-TRE-2fd8122f-72
0.230
ALE-HEI-f28a35b5-12
0.230
BEN-DND-4f474d93-1
0.230
MAR-TRE-04c86cea-53
0.230
TRY-UNI-bbd40bb4-2
0.230
KEI-TRE-d5e2018a-8
0.230
BEN-DND-4f474d93-3
0.230
ALP-POS-ce760d3f-2
0.230
BEN-DND-22e6b372-3
0.229
UNK-UNK-2ede4078-62
0.229
TAM-UNI-c140e31a-13
0.229
STE-UNK-4e3fa4d2-1
0.229
KIM-UNI-60f168f5-9
0.229
CHR-SOS-b301fc01-7
0.229
MAT-POS-590ac91e-10
0.229
MAR-TRE-67513f76-99
0.229
IND-SYN-2c708b29-1
0.228
MAR-TRE-4f781e27-97
0.228
MAK-UNK-129dcd6f-9
0.228
SAD-SAT-cefd50cc-10
0.228