Molecular Properties | |
SMILES: | Cc1ccncc1-c1ccc(=O)n(-c2cc(Cl)cc(N3CCCC3=O)c2)c1 |
MW: | 379.847 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 55.2 |
cLogP: | 3.98812 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-5787f7d3-10
0.671
BEN-VAN-5787f7d3-7
0.615
BEN-VAN-5787f7d3-8
0.490
BEN-VAN-5787f7d3-4
0.406
BEN-VAN-5787f7d3-5
0.402
BEN-VAN-5787f7d3-1
0.394
BEN-VAN-5787f7d3-11
0.390
BEN-VAN-5787f7d3-12
0.375
ADA-UCB-6c2cb422-6
0.323
BEN-VAN-5787f7d3-9
0.314
WAR-XCH-b72a1bbc-4
0.301
PET-UNK-5eca9d1d-3
0.299
ADA-UCB-6c2cb422-5
0.282
JAG-UCB-cedd89ab-1
0.281
EDJ-MED-e66f2cc5-2
0.278
MAK-UNK-7a704a63-7
0.275
MAK-UNK-c8c8f7e2-12
0.275
JAN-GHE-83b26c96-24
0.274
JAN-GHE-83b26c96-25
0.268
MAK-UNK-c8c8f7e2-40
0.267
MAK-UNK-c8c8f7e2-1
0.267
MAK-UNK-7a704a63-17
0.267
MAK-UNK-c8c8f7e2-11
0.264
MAK-UNK-c8c8f7e2-39
0.264
MAK-UNK-7a704a63-18
0.264
MAK-UNK-c8c8f7e2-4
0.264
MAK-UNK-7a704a63-6
0.264
MAK-UNK-7a704a63-16
0.264
MAK-UNK-c8c8f7e2-41
0.264
DOU-UNK-b5326f8f-7
0.259
MAK-UNK-7a704a63-23
0.258
AAR-UNI-c25c2f1e-61
0.257
DAR-DIA-5d6f1b43-33
0.256
MAK-UNK-6435e6c2-4
0.256
MAK-UNK-7a704a63-9
0.255
DAR-DIA-d6e5861b-10
0.254
MAK-UNK-7a704a63-20
0.253
AGN-NEW-63f62ae9-1
0.252
DAR-DIA-d6e5861b-5
0.252
MAK-UNK-c8c8f7e2-2
0.250
MAK-UNK-c8c8f7e2-5
0.250
MAK-UNK-7a704a63-11
0.250
MAR-TRE-2fd8122f-39
0.248
VLA-UCB-00f2c2b3-5
0.248
EDJ-MED-49816e9b-6
0.248
BEN-DND-22e6b372-4
0.247
DAR-DIA-53551c05-3
0.245
MAK-UNK-1e8f9e3c-3
0.245
PET-UNK-5eca9d1d-2
0.245
VLA-UCB-1dbca3b4-4
0.245
PET-UNK-94460c07-3
0.245
MAK-UNK-c8c8f7e2-16
0.245
MAK-UNK-1e8f9e3c-1
0.243
MAK-UNK-9159f8ed-6
0.243
PET-UNK-94460c07-4
0.243
MAR-TRE-799db12b-49
0.243
EDJ-MED-e66f2cc5-1
0.243
DAR-DIA-d6e5861b-7
0.242
MAK-UNK-c8c8f7e2-31
0.242
JAN-GHE-83b26c96-21
0.242
MAK-UNK-10dfa458-3
0.242
LON-WEI-8f408cad-1
0.242
MAK-UNK-7a704a63-10
0.242
AAR-POS-0daf6b7e-11
0.242
DAR-DIA-5d6f1b43-31
0.241
PET-UNK-eda34f30-1
0.240
DAR-DIA-d6e5861b-6
0.240
MAK-UNK-c8c8f7e2-6
0.240
MAK-UNK-c8c8f7e2-10
0.239
MAK-UNK-7a704a63-5
0.239
MAK-UNK-7a704a63-8
0.239
MAK-UNK-c8c8f7e2-20
0.239
MAK-UNK-c8c8f7e2-15
0.239
MIC-UNK-df342a3f-2
0.239
MAK-UNK-9159f8ed-7
0.239
PET-UNK-5eca9d1d-1
0.238
PET-UNK-7be94445-1
0.238
MAR-TRE-7f7bb9f0-54
0.238
DAR-DIA-53551c05-4
0.237
MAR-TRE-67513f76-4
0.237
MAK-UNK-c8c8f7e2-8
0.237
MAK-UNK-c8c8f7e2-17
0.237
MAK-UNK-c8c8f7e2-3
0.237
MAK-UNK-1e8f9e3c-2
0.236
MAR-TRE-7f7bb9f0-31
0.236
DAR-DIA-5d6f1b43-18
0.235
MAK-UNK-c8c8f7e2-18
0.235
MAK-UNK-c8c8f7e2-7
0.235
MAK-UNK-10dfa458-25
0.234
MAK-UNK-c8c8f7e2-33
0.234
MAK-UNK-c8c8f7e2-34
0.234
BEN-VAN-5787f7d3-3
0.234
KIM-UNI-60f168f5-7
0.234
KIM-UNI-60f168f5-8
0.234
PET-UNK-4dc48bbe-2
0.232
MAR-TRE-4b834d9a-26
0.232
JOH-UNI-a38a7bdd-7
0.232
MAK-UNK-9e4a73aa-31
0.231
DAR-DIA-5d6f1b43-9
0.231
EDJ-MED-49816e9b-4
0.231