Molecular Properties | |
SMILES: | O=C(Nc1ccc(NC(=O)[C@@H]2CCCCN2)cn1)C1CC1 |
MW: | 288.16 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 83.12 |
cLogP: | 1.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4b834d9a-100
0.621
MAR-TRE-4b834d9a-56
0.581
MAR-TRE-d0525fbf-53
0.561
MAR-TRE-04c86cea-48
0.561
MAR-TRE-d0525fbf-63
0.535
MAR-TRE-f6f5f473-81
0.529
MAR-TRE-4b834d9a-48
0.522
MAR-TRE-67513f76-96
0.500
MAR-TRE-3e4e6814-52
0.473
MAR-TRE-04c86cea-84
0.471
MAR-TRE-b77b7921-75
0.455
MAR-TRE-f6f5f473-37
0.447
MAR-TRE-04c86cea-19
0.434
MAR-TRE-f6f5f473-63
0.432
MAR-TRE-9c797165-13
0.430
MAR-TRE-f6f5f473-39
0.423
MAR-TRE-f6f5f473-80
0.416
MAR-TRE-67513f76-95
0.395
MAR-TRE-3e4e6814-62
0.385
MAR-TRE-67513f76-46
0.347
MAR-TRE-7f7bb9f0-4
0.341
MAR-TRE-f6f5f473-87
0.333
MAR-TRE-7f7bb9f0-54
0.333
MAR-TRE-67513f76-75
0.329
MAR-TRE-7f7bb9f0-31
0.326
MAR-TRE-9c797165-44
0.324
MAR-TRE-9c797165-37
0.311
COM-UCB-1ef4e90e-5
0.310
MAR-TRE-9c797165-79
0.310
MAR-TRE-04c86cea-79
0.310
MAR-TRE-67513f76-57
0.306
MAK-UNK-c97f7c8f-1
0.304
LON-WEI-120e5cf5-17
0.301
AAR-POS-5507155c-2
0.301
LON-WEI-120e5cf5-1
0.301
AAR-POS-f650c5f2-4
0.301
MAR-TRE-7f7bb9f0-86
0.300
MAR-TRE-9c797165-84
0.300
MAR-TRE-3e4e6814-96
0.298
MAK-UNK-c97f7c8f-2
0.296
MAR-TRE-9c797165-4
0.293
MAR-TRE-67513f76-17
0.293
MAR-TRE-7f7bb9f0-26
0.292
MAR-TRE-2fd8122f-81
0.291
MAR-TRE-3e4e6814-58
0.286
MAR-TRE-67513f76-90
0.280
MAR-TRE-f6f5f473-76
0.280
MAR-TRE-9c797165-77
0.278
MAR-TRE-9c797165-75
0.274
MAR-TRE-74c6519b-24
0.272
MAR-TRE-04c86cea-31
0.272
MAR-TRE-74c6519b-50
0.270
MAR-TRE-f6f5f473-77
0.270
MAK-UNK-748f8b7a-14
0.268
MAR-TRE-9d18ae8c-70
0.267
MAR-TRE-2fd8122f-27
0.267
MAR-TRE-67513f76-31
0.267
MAR-TRE-3e4e6814-23
0.267
MAR-TRE-04c86cea-62
0.266
JAG-SYN-9c2cd0bd-7
0.266
MAK-UNK-30aad1f1-17
0.265
MAR-TRE-9c797165-20
0.264
NAU-LAT-81109c57-2
0.264
MAR-TRE-9d18ae8c-34
0.264
CHR-SOS-54d5cf3e-4
0.263
AAR-UNI-c25c2f1e-3
0.261
MAR-TRE-74c6519b-29
0.261
MAR-TRE-2fd8122f-18
0.259
MAR-TRE-67513f76-36
0.259
MAR-TRE-7f7bb9f0-67
0.258
MAR-TRE-f6f5f473-74
0.258
MAR-TRE-4b834d9a-65
0.258
MAR-TRE-9d18ae8c-16
0.258
JAG-SYN-9c2cd0bd-3
0.256
MAR-TRE-7f7bb9f0-20
0.256
MAR-TRE-a9136c7b-99
0.256
MAR-TRE-04c86cea-94
0.255
MAR-TRE-4b834d9a-62
0.253
MAK-UNK-90d0606b-10
0.253
COM-UCB-1ef4e90e-3
0.250
MAR-TRE-67513f76-84
0.250
MAR-TRE-f6f5f473-9
0.250
MAR-TRE-7f7bb9f0-62
0.247
MAR-TRE-9c797165-86
0.247
MAR-TRE-74c6519b-48
0.245
MAR-TRE-66ac689e-2
0.244
ALE-HEI-f28a35b5-8
0.244
MAR-TRE-d0525fbf-87
0.242
CHR-SOS-54d5cf3e-2
0.242
MAR-TRE-7f7bb9f0-21
0.242
BEN-DND-031a96cc-3
0.242
MAR-TRE-67513f76-85
0.241
MAR-TRE-e86a56b5-19
0.241
MAR-TRE-d0525fbf-50
0.240
MAR-TRE-2fd8122f-8
0.240
MAR-TRE-3e4e6814-82
0.239
MAR-TRE-e86a56b5-36
0.238
MAR-TRE-f6f5f473-28
0.238
LON-WEI-120e5cf5-11
0.238
ROD-LAS-d5538ff9-3
0.237