Molecular Properties | |
SMILES: | C[C@@H](CNC(=O)Nc1cccc(NC(=O)C2CC2)c1)CN1CCCC1=O |
MW: | 358.2 |
Fraction sp3: | 0.53 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 90.54 |
cLogP: | 2.42 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-75
0.525
MAK-UNK-c8c8f7e2-17
0.369
MAK-UNK-c8c8f7e2-18
0.349
BAR-COM-4e090d3a-61
0.347
BAR-COM-0f94fc3d-53
0.330
LON-WEI-120e5cf5-19
0.322
MAK-UNK-c8c8f7e2-16
0.318
MAK-UNK-7a704a63-9
0.314
ERI-BAS-bd3ef700-1
0.309
AAR-UNI-c25c2f1e-3
0.309
BEN-DND-031a96cc-5
0.303
MAK-UNK-6435e6c2-4
0.301
JAG-UCB-ef2c0e8e-10
0.299
BEN-DND-22e6b372-3
0.297
MAR-TRE-9d18ae8c-34
0.296
BAR-COM-4e090d3a-60
0.296
AAR-UNI-c25c2f1e-18
0.295
AAR-UNI-c25c2f1e-53
0.293
MAT-POS-b5746674-100
0.292
LON-WEI-4d77710c-15
0.292
LON-WEI-5e7d1b3e-15
0.292
MAR-TRE-8190bb11-90
0.292
MAK-UNK-c8c8f7e2-44
0.291
MAR-TRE-9d18ae8c-16
0.290
LON-WEI-120e5cf5-2
0.290
BEN-DND-22e6b372-4
0.289
RIT-AID-d1f3f5d2-1
0.284
MAK-UNK-1e8f9e3c-2
0.284
MAK-UNK-10dfa458-3
0.284
AAR-POS-0daf6b7e-11
0.284
MAK-UNK-7a704a63-10
0.284
LON-WEI-8f408cad-1
0.284
AAR-UNI-c25c2f1e-21
0.283
MAK-UNK-7a704a63-5
0.282
MAK-UNK-c8c8f7e2-10
0.282
MAK-UNK-7a704a63-8
0.282
MAK-UNK-c8c8f7e2-15
0.282
JAN-GHE-86445305-3
0.282
AAR-UNI-c25c2f1e-61
0.282
JAG-SYN-9c2cd0bd-3
0.279
LON-WEI-120e5cf5-6
0.278
MAK-UNK-c8c8f7e2-42
0.276
BAR-COM-4e090d3a-20
0.276
LON-WEI-120e5cf5-11
0.275
BEN-DND-031a96cc-4
0.275
JAG-SYN-9c2cd0bd-8
0.273
JOH-UNI-c7afdb96-8
0.273
SAD-SAT-689b7d5a-4
0.272
WIL-UNI-1faa9b10-46
0.272
WIL-UNI-5578df48-17
0.271
MAK-UNK-1e8f9e3c-3
0.270
MAK-UNK-10dfa458-22
0.270
JAG-SYN-9c2cd0bd-14
0.267
JAG-SYN-9c2cd0bd-9
0.267
MAK-UNK-c8c8f7e2-30
0.267
MAK-UNK-7a704a63-12
0.267
JAG-UCB-ef2c0e8e-2
0.267
MAK-UNK-9159f8ed-6
0.267
MAK-UNK-1e8f9e3c-1
0.267
JOH-UNI-c7afdb96-7
0.267
MAR-TRE-6a44bbf2-86
0.264
LON-WEI-120e5cf5-15
0.264
MAK-UNK-c8c8f7e2-39
0.264
MAK-UNK-7a704a63-16
0.264
MAK-UNK-c8c8f7e2-43
0.264
MAK-UNK-7a704a63-3
0.264
MAK-UNK-c8c8f7e2-13
0.264
MAR-TRE-2fd8122f-64
0.262
AAR-UNI-c25c2f1e-40
0.261
JOH-UNI-c7afdb96-6
0.261
MAR-TRE-66ac689e-21
0.260
KEI-TRE-d5e2018a-73
0.260
AAR-UNI-c25c2f1e-103
0.259
MAR-TRE-66ac689e-29
0.258
MAK-UNK-1e8f9e3c-5
0.257
MAK-UNK-c8c8f7e2-19
0.256
RAL-MED-2de63afb-11
0.256
MAR-TRE-d0525fbf-90
0.255
MAR-TRE-2fd8122f-19
0.255
MAK-UNK-9159f8ed-4
0.255
MAR-TRE-2fd8122f-74
0.255
BAR-COM-4e090d3a-23
0.254
MAK-UNK-c8c8f7e2-14
0.253
MAK-UNK-7a704a63-2
0.253
JAG-SYN-9c2cd0bd-4
0.253
MAK-UNK-c8c8f7e2-26
0.253
MAK-UNK-7a704a63-13
0.253
MAK-UNK-c8c8f7e2-28
0.253
MAK-UNK-c8c8f7e2-29
0.253
MAK-UNK-7a704a63-14
0.253
MAR-TRE-2fd8122f-18
0.253
MAR-TRE-3e4e6814-54
0.252
SAD-SAT-135344c3-7
0.252
MAK-UNK-9159f8ed-5
0.252
MAK-UNK-9159f8ed-2
0.252
MAR-TRE-7f7bb9f0-54
0.250
MAR-TRE-4b834d9a-56
0.250
MAR-TRE-04c86cea-40
0.250
WAR-XCH-bdd24732-24
0.250
MAR-TRE-74c6519b-66
0.250