Molecular Properties | |
SMILES: | CN(C)c1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc2[nH]cnc12 |
MW: | 447.496 |
Fraction sp3: | 0.37 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 124.18 |
cLogP: | 1.5974 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
DRA-CSI-7ec17797-10
0.652
DRA-CSI-7ec17797-3
0.570
DRA-CSI-7ec17797-9
0.557
DRA-CSI-7ec17797-18
0.427
MAR-TRE-04c86cea-35
0.366
KEI-TRE-d5e2018a-38
0.340
MAR-TRE-d0525fbf-90
0.333
KAY-MCD-d0fe5261-1
0.326
DRR-IMP-dff87f5e-1
0.326
MAR-TRE-6a44bbf2-58
0.326
MAT-POS-b5746674-57
0.321
KEI-TRE-d5e2018a-73
0.318
BEN-DND-03406596-8
0.316
MAR-TRE-2fd8122f-33
0.312
MAR-TRE-74c6519b-66
0.304
MAR-TRE-a9136c7b-64
0.304
MAR-TRE-2fd8122f-19
0.302
DRA-CSI-7ec17797-19
0.300
DRA-CSI-3ab97369-3
0.290
MAR-TRE-2fd8122f-29
0.290
DRA-CSI-3ab97369-6
0.283
MAK-UNK-69bf97dd-5
0.279
DRA-CSI-3ab97369-1
0.279
MAR-TRE-f6f5f473-23
0.278
SAD-SAT-135344c3-5
0.278
DRA-CSI-3ab97369-5
0.277
BEN-DND-76ad4ac9-6
0.277
MAR-TRE-fd17a9b8-42
0.276
MAR-TRE-2fd8122f-10
0.275
MAR-TRE-4b834d9a-42
0.275
GIA-UNK-5ec6c2b8-4
0.273
SAD-SAT-1f400d17-2
0.272
MAR-TRE-6a44bbf2-89
0.269
MAR-TRE-7f7bb9f0-26
0.269
MAR-TRE-04c86cea-17
0.269
MAK-UNK-009ebe36-3
0.269
JAG-UCB-ef2c0e8e-6
0.267
MAT-POS-b5746674-56
0.266
DRA-CSI-3ab97369-7
0.266
MAR-TRE-fd17a9b8-100
0.265
MAT-POS-b5746674-55
0.261
GIA-UNK-595fac82-4
0.260
MAR-TRE-fd17a9b8-74
0.260
MAK-UNK-69bf97dd-9
0.259
SAD-SAT-f2e2579e-5
0.257
SIM-SYN-3099a863-1
0.257
SAD-SAT-135344c3-4
0.257
MAR-TRE-fd17a9b8-92
0.256
GIA-UNK-eaadd1d4-3
0.253
LON-WEI-120e5cf5-21
0.252
MAR-TRE-fd17a9b8-47
0.252
SAD-SAT-9a6c5cf3-5
0.252
ALE-MCD-4ac17b19-1
0.252
MAR-TRE-3e4e6814-54
0.252
MAR-TRE-04c86cea-46
0.250
MAR-TRE-fd17a9b8-15
0.250
SAD-SAT-f2e2579e-10
0.250
MAR-TRE-fd17a9b8-2
0.248
MAR-TRE-3159af1a-50
0.248
DRA-CSI-7ec17797-7
0.246
SAD-SAT-2fd372d1-9
0.245
SIM-SYN-3099a863-3
0.243
SAD-SAT-9a6c5cf3-2
0.243
MAR-TRE-2fd8122f-13
0.243
MAR-TRE-fd17a9b8-4
0.243
MAR-TRE-fd17a9b8-64
0.243
MAR-TRE-fd17a9b8-50
0.243
WAR-XCH-b6889685-5
0.240
BEN-DND-76ad4ac9-2
0.240
MAR-TRE-fd17a9b8-16
0.240
SAL-INS-1ea6d4ee-1
0.239
MAR-TRE-c317dd82-78
0.239
SAD-SAT-135344c3-2
0.239
LON-WEI-120e5cf5-17
0.238
LON-WEI-120e5cf5-1
0.238
AAR-POS-5507155c-2
0.238
AAR-POS-f650c5f2-4
0.238
CLI-UNI-032f7715-4
0.236
COM-UCB-1ef4e90e-11
0.235
MAR-TRE-fd17a9b8-56
0.235
MAK-UNK-c74072e5-8
0.235
MAK-UNK-7c9d1431-17
0.235
MAR-TRE-fd17a9b8-22
0.234
KEI-TRE-d5e2018a-32
0.234
MAR-TRE-3e4e6814-34
0.234
MAK-UNK-c97f7c8f-2
0.233
ABB-MCD-f8003a30-1
0.232
MAR-TRE-6a44bbf2-32
0.232
HIR-FOR-a67ea703-1
0.232
MAT-POS-b5746674-54
0.231
DRA-CSI-0a78d9ba-15
0.231
SAD-SAT-9a6c5cf3-9
0.230
SIM-SYN-3099a863-2
0.229
MAR-LAB-efb042c5-5
0.229
MAR-TRE-6a44bbf2-68
0.229
AAR-POS-d2a4d1df-27
0.229
MAR-LAB-ff9967db-22
0.229
WAR-XCH-b6889685-57
0.228
MAK-UNK-7c9d1431-22
0.228
SAD-SAT-2fd372d1-6
0.227