Molecular Properties | |
SMILES: | CC(C)[C@H](C(=O)Nc1ccc(N)nc1)S(=O)(=O)C1CCCCC1 |
MW: | 339.16 |
Fraction sp3: | 0.62 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.15 |
cLogP: | 2.37 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
aniline
MAR-TRE-7f7bb9f0-11
0.467
MAR-TRE-67513f76-14
0.438
MAR-TRE-67513f76-47
0.425
MAR-TRE-7f7bb9f0-47
0.403
MAR-TRE-74c6519b-52
0.403
MAR-TRE-9c797165-84
0.387
MAR-TRE-67513f76-75
0.386
MAR-TRE-3e4e6814-96
0.380
MAR-TRE-f6f5f473-97
0.377
MAR-TRE-74c6519b-48
0.376
MAR-TRE-3e4e6814-23
0.373
MAR-TRE-f6f5f473-8
0.369
MAR-TRE-7f7bb9f0-86
0.368
MAR-TRE-9c797165-77
0.365
MAR-TRE-9c797165-44
0.361
MAR-TRE-f6f5f473-9
0.353
MAR-TRE-04c86cea-62
0.352
MAR-TRE-67513f76-3
0.350
MAR-TRE-f6f5f473-74
0.349
MAR-TRE-9c797165-2
0.346
MAR-TRE-f6f5f473-77
0.345
MAR-TRE-4b834d9a-65
0.345
MAR-TRE-9c797165-4
0.342
MED-UNK-e6e8ef8a-1
0.338
MAR-TRE-f6f5f473-56
0.338
MAR-TRE-7f7bb9f0-45
0.338
MAR-TRE-7f7bb9f0-14
0.337
MAR-TRE-7f7bb9f0-63
0.337
MAR-TRE-9c797165-70
0.333
MAR-TRE-3e4e6814-87
0.333
MAR-TRE-4b834d9a-89
0.333
MAR-TRE-3e4e6814-58
0.333
MAR-TRE-f6f5f473-73
0.333
MAR-TRE-7f7bb9f0-99
0.333
MAR-TRE-74c6519b-29
0.333
MAR-TRE-74c6519b-24
0.330
MAR-TRE-04c86cea-38
0.330
MAR-TRE-67513f76-99
0.329
MAR-TRE-67513f76-31
0.326
MAR-TRE-b77b7921-63
0.325
MAR-TRE-3e4e6814-39
0.325
MAR-TRE-b77b7921-72
0.322
MAR-TRE-7f7bb9f0-20
0.321
MED-UNK-e6e8ef8a-7
0.320
MAR-TRE-d0525fbf-50
0.319
MAR-TRE-7f7bb9f0-67
0.318
MAR-TRE-74c6519b-53
0.317
MAR-TRE-67513f76-44
0.316
MAR-TRE-04c86cea-44
0.315
MAR-TRE-f6f5f473-91
0.314
MAR-TRE-74c6519b-50
0.314
MAR-TRE-7f7bb9f0-21
0.314
MAR-TRE-f6f5f473-69
0.310
ZAC-WAB-d55a3c2e-2
0.310
ZAC-WAB-3baddbb3-1
0.310
ASH-UNK-40b46b30-13
0.310
MAR-TRE-f6f5f473-63
0.309
MAR-TRE-67513f76-86
0.304
MAR-TRE-3e4e6814-57
0.303
MAR-TRE-d0525fbf-82
0.302
MAR-TRE-74c6519b-46
0.301
MAR-TRE-67513f76-35
0.300
MAR-TRE-9c797165-83
0.296
MAR-TRE-f6f5f473-90
0.292
MAR-TRE-9c797165-33
0.287
MAR-TRE-7f7bb9f0-13
0.287
MAR-TRE-04c86cea-78
0.284
MAR-TRE-f6f5f473-80
0.282
MAR-TRE-67513f76-64
0.279
MAR-TRE-9c797165-86
0.277
ALE-HEI-f28a35b5-8
0.276
MAR-TRE-9c797165-90
0.276
MAR-TRE-67513f76-96
0.275
TRY-UNI-714a760b-16
0.275
MAK-UNK-b2c98f02-5
0.274
JOH-IMS-62aeb97d-1
0.273
MAR-TRE-f6f5f473-14
0.272
TRY-UNI-714a760b-13
0.272
MAR-TRE-9c797165-58
0.271
MAR-TRE-4b834d9a-58
0.270
TRY-UNI-714a760b-11
0.269
ALE-HEI-f28a35b5-7
0.269
MAR-TRE-d0525fbf-30
0.269
MAR-TRE-f5c2d31c-72
0.268
MAR-TRE-9c797165-32
0.267
MAR-TRE-f6f5f473-76
0.266
MAR-TRE-74c6519b-12
0.266
MAR-TRE-67513f76-90
0.265
SID-ELM-b654bfa2-8
0.265
TRY-UNI-714a760b-7
0.263
SID-ELM-8b394441-17
0.262
MAR-TRE-f6f5f473-98
0.260
MAR-TRE-b77b7921-35
0.258
FRA-FAC-9ed5a63a-1
0.256
ALE-HEI-f28a35b5-9
0.256
AAR-POS-d2a4d1df-13
0.256
MAR-TRE-67513f76-4
0.256
CHA-KIN-ceadbd93-3
0.256
BEN-DND-93268d01-1
0.253
BEN-DND-03406596-4
0.253