Molecular Properties | |
SMILES: | O=C(Cn1ncc2cccnc21)NCc1cc(F)c(Cl)cc1Cl |
MW: | 352.03 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 59.81 |
cLogP: | 3.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
JUL-TUD-06b2044f-98
0.481
JUL-TUD-06b2044f-97
0.333
MAR-TRE-b77b7921-43
0.330
MAR-TRE-d0525fbf-44
0.324
JUL-TUD-06b2044f-115
0.319
MAR-TRE-d0525fbf-11
0.312
MAR-TRE-4b834d9a-76
0.311
MAR-TRE-d0525fbf-7
0.309
MAR-TRE-7f7bb9f0-22
0.308
MAR-TRE-4b834d9a-36
0.306
MAR-TRE-3e4e6814-19
0.303
MAR-TRE-7f7bb9f0-1
0.301
MAR-TRE-4b834d9a-55
0.300
MAR-TRE-4b834d9a-95
0.300
MAR-TRE-d0525fbf-21
0.299
MAR-TRE-04c86cea-69
0.298
MAR-TRE-3e4e6814-4
0.297
MAR-TRE-74c6519b-16
0.297
MAR-TRE-4b834d9a-99
0.297
MAR-TRE-b77b7921-27
0.296
MAR-TRE-04c86cea-45
0.295
MAR-TRE-4b834d9a-33
0.294
JUL-TUD-06b2044f-152
0.292
MAR-TRE-d0525fbf-2
0.292
MAR-TRE-d0525fbf-12
0.291
MAR-TRE-4b834d9a-54
0.290
MAR-TRE-d0525fbf-3
0.288
MAR-TRE-b77b7921-20
0.288
MAR-TRE-7f7bb9f0-9
0.288
MAR-TRE-7f7bb9f0-5
0.286
MAR-TRE-04c86cea-9
0.286
MAR-TRE-f6f5f473-12
0.284
MAR-TRE-d0525fbf-5
0.283
MAR-TRE-f6f5f473-50
0.282
MAR-TRE-f6f5f473-26
0.279
MAR-TRE-4b834d9a-35
0.278
MAR-TRE-d0525fbf-4
0.277
MAR-TRE-04c86cea-74
0.277
MAR-TRE-7f7bb9f0-73
0.276
MAR-TRE-d0525fbf-6
0.274
MAR-TRE-74c6519b-86
0.273
DAR-DIA-6a49afbe-7
0.273
MAR-TRE-4b834d9a-15
0.273
BEN-DND-61647d40-11
0.271
MAR-TRE-3159af1a-64
0.270
MAR-TRE-9c797165-23
0.269
MAR-TRE-74c6519b-4
0.268
MAR-TRE-d0525fbf-71
0.267
MAR-TRE-9c797165-25
0.266
MAR-TRE-4b834d9a-9
0.265
MAR-TRE-f6f5f473-96
0.265
EDJ-MED-6e43a462-7
0.265
MAR-TRE-3159af1a-53
0.265
MAR-TRE-3159af1a-5
0.264
JUL-TUD-06b2044f-132
0.264
MAR-TRE-b77b7921-5
0.263
MAR-TRE-04c86cea-21
0.262
MAR-TRE-4b834d9a-12
0.261
MAR-TRE-d0525fbf-9
0.261
MAR-TRE-04c86cea-92
0.261
MAR-TRE-74c6519b-20
0.261
MAR-TRE-b77b7921-8
0.261
BAR-COM-0f94fc3d-27
0.260
MAR-TRE-74c6519b-78
0.260
MAR-TRE-4b834d9a-22
0.259
MAR-TRE-3159af1a-30
0.259
MAR-TRE-4b834d9a-8
0.257
MAR-TRE-4b834d9a-60
0.257
JUL-TUD-06b2044f-153
0.257
MAR-TRE-d0525fbf-23
0.257
MAR-TRE-7f7bb9f0-3
0.257
MAR-TRE-7f7bb9f0-70
0.257
MAR-TRE-d0525fbf-29
0.257
MAR-TRE-3159af1a-12
0.257
DAR-DIA-842b4336-17
0.255
JUL-TUD-06b2044f-137
0.255
MAR-TRE-7f7bb9f0-17
0.255
MAR-TRE-7f7bb9f0-85
0.255
MAR-TRE-d0525fbf-43
0.255
JUL-TUD-06b2044f-35
0.255
MAR-TRE-4b834d9a-2
0.255
MAR-TRE-04c86cea-36
0.255
MAR-TRE-f6f5f473-68
0.255
MAR-TRE-4b834d9a-10
0.254
MAR-TRE-b77b7921-19
0.254
JOH-UNI-6fede743-5
0.252
MAR-TRE-4b834d9a-25
0.252
MAR-TRE-4b834d9a-5
0.252
MAR-TRE-4b834d9a-69
0.252
MAR-TRE-04c86cea-60
0.252
MAR-TRE-9c797165-85
0.252
MAR-TRE-74c6519b-77
0.252
MAR-TRE-b77b7921-7
0.252
MAR-TRE-d0525fbf-8
0.250
MAR-TRE-d0525fbf-37
0.250
MAR-TRE-3e4e6814-90
0.250
MAR-TRE-b77b7921-28
0.250
MAR-TRE-04c86cea-52
0.250
MAR-TRE-f6f5f473-16
0.250
MAR-TRE-d0525fbf-28
0.250