Molecular Properties | |
SMILES: | NC1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 |
MW: | 314.06 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 92.08 |
cLogP: | 1.33 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2442880120 |
Mcule: | MCULE-4517197946 |
MolPort: | MolPort-045-403-143 |
Activated haloaromatics
4-halopyridine
Hetero_hetero
MAR-TRE-3159af1a-79
0.778
MAR-TRE-3159af1a-39
0.727
MAR-TRE-3159af1a-50
0.723
MAR-TRE-3159af1a-48
0.691
MAR-TRE-3159af1a-60
0.672
MAR-TRE-3159af1a-26
0.640
MAR-TRE-3159af1a-54
0.634
MAR-TRE-3159af1a-51
0.614
MAR-TRE-3159af1a-62
0.592
MAR-TRE-3159af1a-63
0.584
MAR-TRE-3159af1a-80
0.579
MAR-TRE-3159af1a-29
0.577
MAR-TRE-3159af1a-11
0.575
MAR-TRE-3159af1a-7
0.538
MAR-TRE-3159af1a-92
0.526
MAR-TRE-3159af1a-10
0.512
MAR-TRE-3159af1a-6
0.500
MAR-TRE-3159af1a-77
0.481
MAR-TRE-3159af1a-23
0.410
MAR-TRE-3159af1a-89
0.390
MAR-TRE-3159af1a-93
0.386
WIL-UNI-1faa9b10-53
0.372
MAR-TRE-3159af1a-78
0.360
MAR-TRE-3159af1a-67
0.322
MAR-TRE-3159af1a-36
0.318
MAR-TRE-3159af1a-86
0.318
MAR-TRE-3159af1a-56
0.315
MAR-TRE-3159af1a-31
0.311
MAR-TRE-3159af1a-42
0.304
MAR-TRE-3159af1a-43
0.303
MAR-TRE-3159af1a-61
0.301
MAR-TRE-3159af1a-65
0.300
MAR-TRE-3159af1a-74
0.299
MAR-TRE-3159af1a-32
0.296
NIC-BIO-25446079-2
0.291
MAR-TRE-3159af1a-19
0.290
MAR-TRE-3159af1a-45
0.290
MAR-TRE-3159af1a-81
0.286
MAR-TRE-3159af1a-35
0.281
MAR-TRE-2fd8122f-19
0.253
WAR-XCH-b72a1bbc-41
0.244
RED-RED-10c9212c-21
0.241
MAR-TRE-2fd8122f-29
0.240
DAR-DIA-03336633-14
0.230
DAR-DIA-03336633-12
0.229
WAR-XCH-b6889685-17
0.228
SWA-SYN-d2e6fa14-4
0.228
SWA-SYN-6423ea73-4
0.228
MAR-TRE-3159af1a-91
0.227
WAR-XCH-b72a1bbc-46
0.226
MAR-TRE-7f7bb9f0-33
0.226
COM-UCB-1ef4e90e-19
0.225
MAR-TRE-d0525fbf-90
0.225
NIC-BIO-ec630548-4
0.222
MAR-TRE-c317dd82-78
0.222
MAR-TRE-be9ff7d2-8
0.221
NIC-BIO-174c9b04-2
0.220
MAR-TRE-fd17a9b8-42
0.218
SAD-SAT-f25ee457-6
0.218
WAR-XCH-b6889685-18
0.217
MAR-TRE-fd17a9b8-15
0.217
MAK-UNK-009ebe36-3
0.216
DAR-DIA-03336633-13
0.216
NIC-BIO-25446079-4
0.215
GIA-UNK-595fac82-4
0.214
SAD-SAT-135344c3-5
0.214
NIC-BIO-ec630548-1
0.214
WAR-XCH-b72a1bbc-49
0.214
MAR-TRE-3159af1a-20
0.214
NIC-BIO-25446079-3
0.213
MAR-TRE-a9136c7b-64
0.213
MAR-TRE-fd17a9b8-64
0.213
MAT-POS-590ac91e-20
0.212
NIC-BIO-2722da07-1
0.212
NIC-BIO-ec630548-2
0.212
MAR-TRE-3e4e6814-54
0.212
JAG-UCB-ef2c0e8e-6
0.211
WAR-XCH-b72a1bbc-35
0.211
MAR-TRE-d0525fbf-14
0.210
KEI-TRE-d5e2018a-79
0.210
MAR-TRE-2fd8122f-86
0.209
WAR-XCH-b6889685-22
0.209
WAR-XCH-b6889685-5
0.209
NIC-BIO-29f4a211-1
0.208
WAR-XCH-b0339bbe-3
0.208
MAR-TRE-f6f5f473-30
0.208
MAR-TRE-3159af1a-69
0.208
NIC-BIO-ec630548-3
0.208
DRA-CSI-7ec17797-18
0.208
MAR-TRE-fd17a9b8-92
0.208
NIC-BIO-174c9b04-3
0.206
KEI-TRE-d5e2018a-38
0.206
MAT-POS-b5746674-54
0.205
MAK-UNK-7c9d1431-12
0.205
MAR-TRE-fd17a9b8-16
0.205
BEN-DND-76ad4ac9-1
0.205
BEN-DND-76ad4ac9-2
0.205
NIC-BIO-174c9b04-1
0.204
SAD-SAT-135344c3-3
0.204
SAD-SAT-135344c3-4
0.204