Molecular Properties | |
SMILES: | CCNc1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc(C)n1 |
MW: | 362.15 |
Fraction sp3: | 0.44 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 91.32 |
cLogP: | 1.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8319843087 |
MolPort: | MolPort-019-798-212 |
Hetero_hetero
PEI-IMP-ca0b2813-1
0.447
MAR-TRE-c8530538-91
0.375
MAR-TRE-f5c2d31c-34
0.359
MAR-TRE-f5c2d31c-25
0.351
MAR-TRE-d0525fbf-90
0.345
MAR-TRE-f5c2d31c-12
0.344
MAR-TRE-f5c2d31c-43
0.340
JAR-KUA-8c13982c-2
0.330
MAR-TRE-f5c2d31c-66
0.327
MAR-TRE-fd17a9b8-72
0.327
MAR-TRE-f5c2d31c-8
0.327
MAR-TRE-f5c2d31c-19
0.323
MAR-TRE-f5c2d31c-9
0.317
MAR-TRE-f5c2d31c-22
0.314
MAK-UNK-148caf23-3
0.313
MAR-TRE-f5c2d31c-57
0.307
MAR-TRE-f5c2d31c-39
0.305
MAR-TRE-f5c2d31c-54
0.305
MAR-TRE-f5c2d31c-11
0.301
MAR-TRE-f5c2d31c-28
0.301
MAR-TRE-f5c2d31c-7
0.300
MAK-UNK-148caf23-1
0.299
MAK-UNK-009ebe36-2
0.299
AUS-ARG-7cfdce8f-2
0.298
MAR-TRE-2fd8122f-13
0.298
MAK-UNK-148caf23-2
0.297
SIM-SYN-3099a863-3
0.296
AUS-ARG-7cfdce8f-17
0.295
ALE-MCD-4ac17b19-1
0.295
MAK-UNK-148caf23-5
0.293
MAR-TRE-f5c2d31c-37
0.293
MAR-TRE-f5c2d31c-29
0.291
MAK-UNK-148caf23-4
0.291
MAK-UNK-148caf23-20
0.291
KEI-TRE-d5e2018a-13
0.290
MAR-TRE-f5c2d31c-33
0.290
JAR-KUA-41bd5a3d-4
0.289
MAR-TRE-f5c2d31c-27
0.288
ANT-OPE-a517596a-1
0.287
MAK-UNK-148caf23-22
0.284
MAR-TRE-67513f76-51
0.283
PEI-IMP-ca0b2813-4
0.281
KEN-MCD-4729dc98-1
0.280
SIM-SYN-a98e6a07-1
0.276
KEI-TRE-d5e2018a-22
0.276
MAK-UNK-8fdbca50-17
0.274
MAK-UNK-0955449e-32
0.274
MAK-UNK-148caf23-23
0.274
MAK-UNK-148caf23-12
0.274
MAK-UNK-148caf23-9
0.271
MAK-UNK-148caf23-21
0.271
MAR-TRE-fd17a9b8-92
0.271
MAK-UNK-148caf23-6
0.269
NIM-UNI-05f93fcc-6
0.268
MAK-UNK-8fdbca50-33
0.268
TAT-ENA-80bfd3e5-43
0.267
MAK-UNK-7c9d1431-11
0.267
MAR-TRE-6a44bbf2-65
0.267
MAR-TRE-fd17a9b8-62
0.265
KEI-TRE-d5e2018a-9
0.265
MAK-UNK-148caf23-7
0.264
MAR-TRE-2fd8122f-55
0.264
MAK-UNK-8fdbca50-40
0.264
KAY-MCD-59dc2eb3-1
0.263
MAT-POS-b5746674-31
0.263
MAK-UNK-8fdbca50-27
0.262
MAR-TRE-2fd8122f-35
0.262
BEN-VAN-ed886787-15
0.261
PEI-IMP-ca0b2813-3
0.261
KEI-TRE-d5e2018a-32
0.260
IND-SYN-6c8299e8-7
0.260
MAR-TRE-3e4e6814-34
0.260
MAR-TRE-2fd8122f-15
0.260
KEI-TRE-d5e2018a-52
0.260
KEI-TRE-d5e2018a-10
0.260
MAK-UNK-009ebe36-3
0.260
MAK-UNK-8fdbca50-38
0.260
MAK-UNK-009ebe36-7
0.260
MAR-TRE-f5c2d31c-58
0.260
MAK-UNK-8fdbca50-36
0.260
NIM-UNI-310206f0-27
0.259
PEI-IMP-ca0b2813-2
0.259
MAK-UNK-148caf23-11
0.259
MAK-UNK-de9577cf-4
0.259
MAK-UNK-148caf23-8
0.258
MAK-UNK-148caf23-10
0.258
MAK-UNK-8fdbca50-39
0.258
MAK-UNK-8fdbca50-41
0.258
SAD-SAT-135344c3-5
0.257
KEI-TRE-d5e2018a-53
0.257
NIM-UNI-310206f0-28
0.257
BEN-VAN-ed886787-13
0.257
ZAC-MCD-b48cf8fd-1
0.256
MAK-UNK-8fdbca50-30
0.256
MAR-TRE-3159af1a-93
0.255
KEI-TRE-d5e2018a-61
0.255
MAR-TRE-3e4e6814-92
0.255
MAK-UNK-0955449e-33
0.255
MAK-UNK-9a6be56d-27
0.254
MAK-UNK-9a6be56d-23
0.254