Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 |
MW: | 393.09 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 79.37 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5536872192 |
MolPort: | MolPort-006-799-837 |
Hetero_hetero
MAR-TRE-d0525fbf-90
0.587
LON-WEI-120e5cf5-11
0.539
KEI-TRE-d5e2018a-73
0.535
MAR-TRE-2fd8122f-19
0.518
MAR-TRE-2fd8122f-29
0.518
KEI-TRE-d5e2018a-38
0.511
MAR-TRE-2fd8122f-33
0.500
MAR-TRE-74c6519b-66
0.469
MAK-UNK-a7b37c5e-1
0.461
MAR-TRE-04c86cea-17
0.455
MAR-TRE-04c86cea-46
0.448
MAR-TRE-2fd8122f-13
0.442
BEN-DND-031a96cc-2
0.427
BEN-DND-031a96cc-1
0.424
MAK-UNK-d1e89583-8
0.422
MAR-TRE-2fd8122f-27
0.421
MAR-TRE-04c86cea-35
0.418
MAR-TRE-f6f5f473-23
0.418
BEN-DND-031a96cc-3
0.416
MAR-TRE-04c86cea-49
0.413
MAR-TRE-d0525fbf-54
0.412
KEI-TRE-d5e2018a-56
0.404
KEI-TRE-d5e2018a-36
0.396
MAR-TRE-2fd8122f-18
0.395
SAD-SAT-135344c3-3
0.391
MAR-TRE-9c797165-80
0.386
KEI-TRE-d5e2018a-79
0.379
MAR-TRE-d0525fbf-14
0.379
JAG-SYN-9c2cd0bd-7
0.378
MAR-TRE-7f7bb9f0-33
0.378
JAG-SYN-9c2cd0bd-14
0.375
MAK-UNK-5d2caa6f-1
0.371
MAR-TRE-6a44bbf2-86
0.370
LON-WEI-120e5cf5-15
0.370
MED-UNK-e6e8ef8a-7
0.366
KEI-TRE-d5e2018a-97
0.365
SAD-SAT-135344c3-1
0.365
MAR-TRE-2fd8122f-64
0.365
MAR-TRE-74c6519b-51
0.363
SAD-SAT-135344c3-4
0.362
MAK-UNK-a7b37c5e-2
0.361
KEI-TRE-d5e2018a-15
0.359
MAR-TRE-7f7bb9f0-18
0.359
JAG-SYN-9c2cd0bd-9
0.358
JIA-UNI-12b1f9ae-1
0.356
SAD-SAT-135344c3-2
0.355
JOH-IMS-62aeb97d-3
0.354
JAG-UCB-ef2c0e8e-6
0.352
MAR-TRE-2fd8122f-42
0.351
MAR-TRE-2fd8122f-59
0.351
MAK-UNK-a7b37c5e-4
0.350
MAR-TRE-f6f5f473-6
0.349
MAK-UNK-009ebe36-3
0.347
MAR-TRE-2fd8122f-8
0.347
JAG-SYN-9c2cd0bd-8
0.345
SAD-SAT-2fd372d1-7
0.345
SAD-SAT-135344c3-5
0.344
KEI-TRE-d5e2018a-49
0.343
BEN-DND-362d364a-10
0.343
AAR-POS-d2a4d1df-11
0.342
JAG-SYN-9c2cd0bd-4
0.341
MAR-TRE-7f7bb9f0-49
0.341
BAR-COM-5694a99d-1
0.340
BEN-DND-362d364a-11
0.340
MAR-TRE-2fd8122f-16
0.340
MAK-UNK-b2c98f02-5
0.340
MAR-TRE-fd17a9b8-92
0.340
MAK-UNK-ca11b4f7-1
0.338
JAG-SYN-9c2cd0bd-3
0.337
MAR-TRE-2fd8122f-81
0.337
MAK-UNK-d1e89583-6
0.337
MAR-TRE-f6f5f473-84
0.337
MAK-UNK-c749d764-13
0.337
ASH-UNK-40b46b30-13
0.337
MAR-TRE-2fd8122f-90
0.337
WIL-UNI-5578df48-17
0.337
ZAC-WAB-3baddbb3-1
0.337
ZAC-WAB-d55a3c2e-2
0.337
MAR-TRE-2fd8122f-50
0.337
THO-SYG-f9b2970d-5
0.337
MAR-TRE-2fd8122f-74
0.337
NAU-LAT-64f4b287-10
0.333
KEI-TRE-d5e2018a-81
0.333
KEI-TRE-d5e2018a-94
0.333
MED-UNK-e6e8ef8a-1
0.333
MAR-TRE-2fd8122f-72
0.333
MAR-TRE-3159af1a-99
0.333
MAR-TRE-74c6519b-91
0.333
MAR-TRE-2fd8122f-48
0.330
MAK-UNK-009ebe36-7
0.330
ALE-MCD-4ac17b19-1
0.330
ADA-UNI-f8e79267-3
0.330
MAR-TRE-2fd8122f-44
0.330
MAR-TRE-67513f76-20
0.330
MAR-TRE-3e4e6814-62
0.330
MAR-TRE-3e4e6814-93
0.330
AUS-ARG-7cfdce8f-11
0.329
JOH-IMS-62aeb97d-4
0.329
ALE-HEI-f28a35b5-14
0.329
MAR-TRE-67513f76-81
0.329