Molecular Properties | |
SMILES: | Nc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cn1 |
MW: | 379.08 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 102.15 |
cLogP: | 3.04 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2617426372 |
MolPort: | MolPort-045-075-813 |
Activated haloaromatics
aniline
MAR-TRE-f6f5f473-91
0.402
MAR-TRE-04c86cea-78
0.402
MAR-TRE-f6f5f473-69
0.398
MAR-TRE-f6f5f473-90
0.393
MAR-TRE-f6f5f473-56
0.380
MAR-TRE-f6f5f473-28
0.377
MAR-TRE-74c6519b-53
0.358
MAR-TRE-67513f76-75
0.356
MAR-TRE-b77b7921-63
0.349
MAR-TRE-9c797165-77
0.338
MAR-TRE-67513f76-14
0.338
MAR-TRE-9c797165-2
0.338
MAR-TRE-04c86cea-38
0.337
MAR-TRE-9c797165-44
0.333
MAR-TRE-3e4e6814-23
0.333
MAR-TRE-4b834d9a-89
0.325
MAR-TRE-9c797165-84
0.325
MAR-TRE-f6f5f473-77
0.322
MAR-TRE-67513f76-99
0.321
MAR-TRE-04c86cea-62
0.315
MAR-TRE-7f7bb9f0-20
0.312
MAR-TRE-f6f5f473-74
0.310
MAR-TRE-74c6519b-46
0.310
MAR-TRE-74c6519b-52
0.310
MAR-TRE-7f7bb9f0-86
0.309
MAR-TRE-3e4e6814-87
0.309
MAR-TRE-67513f76-44
0.309
MAR-TRE-9c797165-70
0.308
MAR-TRE-74c6519b-48
0.308
MAR-TRE-04c86cea-44
0.308
MAR-TRE-4b834d9a-65
0.308
MAR-TRE-3e4e6814-96
0.306
MAR-TRE-67513f76-31
0.303
MAR-TRE-3e4e6814-39
0.301
MAR-TRE-9c797165-4
0.301
MAR-TRE-f6f5f473-9
0.300
MAR-TRE-f6f5f473-8
0.300
MAR-TRE-7f7bb9f0-45
0.298
MAR-TRE-74c6519b-29
0.297
MAR-TRE-7f7bb9f0-99
0.294
MAR-TRE-67513f76-3
0.294
MAR-TRE-3e4e6814-58
0.294
MAR-TRE-74c6519b-24
0.293
MAR-TRE-67513f76-47
0.293
MAR-TRE-d0525fbf-30
0.290
MAR-TRE-7f7bb9f0-11
0.287
MAR-TRE-7f7bb9f0-14
0.284
MAR-TRE-7f7bb9f0-63
0.284
MAR-TRE-9c797165-33
0.281
MAR-TRE-f6f5f473-73
0.281
MAR-TRE-7f7bb9f0-67
0.281
MAR-TRE-67513f76-35
0.280
MAR-TRE-7f7bb9f0-47
0.279
MAR-TRE-74c6519b-50
0.278
MAR-TRE-7f7bb9f0-21
0.278
MAR-TRE-b77b7921-72
0.274
MAR-TRE-04c86cea-17
0.272
MAR-TRE-7f7bb9f0-74
0.272
AAR-POS-dddeddbf-3
0.270
MAR-TRE-9c797165-69
0.268
WAR-XCH-79d12f6e-10
0.267
WAR-XCH-b0339bbe-20
0.267
CHR-SOS-7098f804-15
0.267
MAR-TRE-d0525fbf-82
0.267
CHR-SOS-70e4c98a-2
0.266
MAR-TRE-4b834d9a-58
0.265
CHR-SOS-70e4c98a-5
0.261
MAR-TRE-74c6519b-12
0.260
MAR-TRE-d0525fbf-50
0.260
MAR-TRE-04c86cea-86
0.259
MAR-TRE-b77b7921-30
0.258
MAR-TRE-9c797165-68
0.256
MAR-TRE-7f7bb9f0-13
0.255
MAR-TRE-f6f5f473-14
0.255
MAR-TRE-4b834d9a-56
0.250
ADA-UNI-f8e79267-9
0.250
CHR-SOS-70e4c98a-4
0.247
LON-WEI-120e5cf5-20
0.247
MAR-TRE-6c5ef77a-74
0.244
DRR-IMP-dff87f5e-3
0.244
AAR-POS-d2a4d1df-44
0.244
MAK-UNK-a7b37c5e-4
0.244
MAK-UNK-0cb6a3ad-11
0.243
CHR-SOS-70e4c98a-12
0.242
MAR-TRE-2fd8122f-85
0.242
CHR-SOS-70e4c98a-11
0.242
MAR-TRE-0fda4e82-48
0.240
MAR-TRE-2fd8122f-52
0.240
CHR-SOS-70e4c98a-9
0.240
ADA-UNI-f8e79267-12
0.239
KEI-TRE-d5e2018a-99
0.239
MAR-TRE-67513f76-32
0.239
MAR-TRE-67513f76-96
0.238
MAR-TRE-04c86cea-48
0.235
AHN-SAT-de2502ba-17
0.235
PET-SGC-1fc12be1-1
0.235
JOH-UNI-c7afdb96-1
0.234
MAR-TRE-4b834d9a-62
0.233
MAR-TRE-f6f5f473-81
0.233
MAR-TRE-f5c2d31c-72
0.233