Molecular Properties | |
SMILES: | Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccccn4)o3)CC2)cc1 |
MW: | 377.448 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 84.15 |
cLogP: | 3.29072 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
DRA-CSI-7ec17797-7
0.570
DRA-CSI-7ec17797-6
0.558
DRA-CSI-7ec17797-18
0.553
DRA-CSI-0a78d9ba-6
0.420
DRA-CSI-0a78d9ba-1
0.375
SAD-SAT-7d5528d9-7
0.359
DRA-CSI-0a78d9ba-5
0.359
DRA-CSI-0a78d9ba-2
0.348
DRA-CSI-0a78d9ba-3
0.339
DRA-CSI-0a78d9ba-4
0.339
DRA-CSI-0a78d9ba-9
0.333
DRA-CSI-0a78d9ba-7
0.325
DRA-CSI-0a78d9ba-8
0.323
GIA-UNK-5ec6c2b8-3
0.318
DRA-CSI-0a78d9ba-16
0.311
MAK-UNK-acefcb18-20
0.308
DRA-CSI-0a78d9ba-15
0.303
JAG-SYN-9c2cd0bd-9
0.297
MAK-UNK-c97f7c8f-1
0.292
MAR-TRE-3e4e6814-71
0.289
BEN-DND-031a96cc-4
0.289
BEN-DND-031a96cc-5
0.289
MAK-UNK-7c9d1431-21
0.287
MAK-UNK-c97f7c8f-2
0.286
DRA-CSI-0a78d9ba-10
0.286
MED-COV-4280ac29-17
0.283
JAG-SYN-9c2cd0bd-14
0.283
DRA-CSI-0a78d9ba-12
0.281
MAT-POS-b5746674-108
0.281
LON-WEI-5e7d1b3e-35
0.281
LON-WEI-4d77710c-35
0.281
LON-WEI-120e5cf5-21
0.280
GIA-UNK-595fac82-5
0.280
DRA-CSI-0a78d9ba-11
0.277
MAR-TRE-fd17a9b8-44
0.277
MAK-UNK-acefcb18-29
0.276
DRA-CSI-3ab97369-6
0.276
MAR-TRE-74c6519b-75
0.273
MAR-TRE-3e4e6814-70
0.271
MAR-TRE-7f7bb9f0-26
0.271
DRA-CSI-7ec17797-19
0.270
LON-WEI-120e5cf5-13
0.270
MAR-TRE-f6f5f473-54
0.270
MAK-UNK-a7992eb3-9
0.267
MAK-UNK-a7992eb3-8
0.266
LON-WEI-120e5cf5-15
0.266
MAR-TRE-6a44bbf2-86
0.266
DRA-CSI-7ec17797-1
0.264
BEN-DND-031a96cc-1
0.264
JOO-PER-74f994a9-1
0.261
MAR-TRE-a9136c7b-89
0.260
DRA-CSI-3ab97369-4
0.260
SAM-UNK-2684b532-8
0.259
KRI-MAR-d2e3ef86-2
0.259
MAR-TRE-74c6519b-21
0.258
MAR-TRE-f6f5f473-63
0.257
MAR-TRE-74c6519b-29
0.257
DRA-CSI-3ab97369-2
0.256
LON-WEI-120e5cf5-19
0.255
SAM-UNK-2684b532-9
0.255
TRI-UNI-97428359-2
0.255
JAG-SYN-9c2cd0bd-3
0.253
MAK-UNK-3d7e3904-2
0.252
MAK-UNK-acefcb18-31
0.252
MAR-TRE-f6f5f473-66
0.252
SAD-SAT-7d5528d9-6
0.252
MAR-TRE-c8530538-59
0.252
MAR-TRE-04c86cea-3
0.252
MAR-TRE-f6f5f473-93
0.252
MAR-TRE-3e4e6814-35
0.250
MAR-TRE-74c6519b-59
0.250
MAR-TRE-f6f5f473-86
0.250
MAK-UNK-a7992eb3-16
0.250
DRA-CSI-3ab97369-1
0.250
MAR-TRE-f6f5f473-61
0.250
DRA-CSI-7ec17797-3
0.250
MAK-UNK-212f693e-15
0.250
LON-WEI-120e5cf5-11
0.250
DRA-CSI-7ec17797-17
0.250
DRA-CSI-3ab97369-7
0.248
MAK-UNK-a7992eb3-1
0.248
SAD-SAT-7d5528d9-35
0.248
MAK-UNK-acefcb18-24
0.248
MAK-UNK-acefcb18-22
0.248
JAG-SYN-9c2cd0bd-8
0.247
JAG-SYN-9c2cd0bd-7
0.247
MAR-TRE-4b834d9a-51
0.246
MAR-TRE-f6f5f473-21
0.246
MAR-TRE-2fd8122f-29
0.245
MAR-TRE-dab8f6ea-45
0.245
JAG-UCB-ef2c0e8e-6
0.245
AAR-POS-0daf6b7e-6
0.245
AHN-SAT-02ef6d10-2
0.245
MAR-TRE-6a44bbf2-15
0.245
MAR-TRE-3e4e6814-54
0.243
MAK-UNK-a7992eb3-17
0.243
DRA-CSI-7ec17797-12
0.242
DRA-CSI-7ec17797-14
0.242
JAG-SYN-9c2cd0bd-4
0.242
MAK-UNK-acefcb18-27
0.242