Molecular Properties | |
SMILES: | O=C(Nc1ccccc1)C1CCN(CCCl)CC1 |
MW: | 266.772 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 32.34 |
cLogP: | 2.5759 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Filter1_2_halo_ether
Filter84_nitrogen_mustard
mustards
Alkyl Halide
JAG-SYN-9c2cd0bd-14
0.636
MAR-TRE-6a44bbf2-86
0.625
LON-WEI-120e5cf5-15
0.625
JAG-SYN-9c2cd0bd-4
0.579
BEN-DND-031a96cc-5
0.565
BEN-DND-031a96cc-4
0.565
JAG-SYN-9c2cd0bd-8
0.550
JAG-SYN-9c2cd0bd-3
0.542
JAG-SYN-9c2cd0bd-7
0.525
BEN-DND-031a96cc-2
0.446
BEN-DND-031a96cc-1
0.442
LON-WEI-120e5cf5-20
0.438
BEN-DND-031a96cc-3
0.432
LON-WEI-120e5cf5-10
0.403
JAG-SYN-9c2cd0bd-5
0.391
LON-WEI-120e5cf5-19
0.389
LON-WEI-120e5cf5-11
0.386
AAR-POS-0daf6b7e-32
0.381
SAD-SAT-6b5a89f0-8
0.377
LON-WEI-120e5cf5-4
0.373
MAK-UNK-5d2caa6f-20
0.366
AHN-SAT-de2502ba-7
0.359
MAR-TRE-3e4e6814-54
0.358
MAR-TRE-7f7bb9f0-26
0.350
TAT-ENA-80bfd3e5-23
0.348
WIL-LEE-23e8b574-6
0.344
AAR-POS-0daf6b7e-6
0.343
MAR-TRE-6a44bbf2-15
0.343
DRA-CSI-0a78d9ba-1
0.340
AAR-POS-0daf6b7e-44
0.339
LON-WEI-120e5cf5-12
0.333
LON-WEI-120e5cf5-16
0.333
GIA-UNK-5ec6c2b8-3
0.333
AAR-POS-5507155c-2
0.329
LON-WEI-120e5cf5-17
0.329
LON-WEI-120e5cf5-1
0.329
AAR-POS-f650c5f2-4
0.329
MAR-TRE-3159af1a-24
0.326
LON-WEI-120e5cf5-2
0.325
LON-WEI-120e5cf5-3
0.324
DRA-CSI-0a78d9ba-5
0.323
CHR-SOS-7098f804-9
0.321
DAN-MCD-a37c31cb-1
0.321
DAN-MCD-68a9aade-1
0.321
DAN-MCD-e5161b06-1
0.321
MAR-TRE-d0525fbf-90
0.320
LON-WEI-120e5cf5-9
0.318
BEN-DND-031a96cc-7
0.318
MED-COV-4280ac29-17
0.315
KEI-TRE-d5e2018a-38
0.314
MAR-TRE-14ce9fd6-61
0.312
MAK-UNK-3d7e3904-2
0.312
MAK-UNK-3d7e3904-3
0.312
GIA-UNK-3f36037a-2
0.309
LON-WEI-120e5cf5-14
0.309
MAK-UNK-c97f7c8f-2
0.307
MAR-TRE-3159af1a-99
0.304
AAR-UNI-c25c2f1e-75
0.304
SAD-SAT-2fd372d1-8
0.303
GIA-UNK-3f36037a-4
0.303
MAR-TRE-3159af1a-84
0.302
MAR-TRE-fd17a9b8-56
0.299
LON-WEI-120e5cf5-21
0.299
MAK-UNK-c97f7c8f-1
0.297
DRA-CSI-0a78d9ba-13
0.297
BEN-DND-031a96cc-6
0.295
DRA-CSI-0a78d9ba-12
0.295
CLI-UNI-032f7715-2
0.295
MED-COV-dea4df70-1
0.295
LON-WEI-120e5cf5-6
0.293
CHR-SOS-7098f804-8
0.292
AAR-POS-fca48359-5
0.292
JOH-UNI-522b0723-9
0.291
JOH-SUS-bab12148-1
0.290
GIA-UNK-3f36037a-7
0.290
MAK-UNK-a7992eb3-7
0.289
SAD-SAT-7d5528d9-7
0.287
KEI-TRE-d5e2018a-73
0.287
DRA-CSI-47e38074-2
0.286
LON-WEI-120e5cf5-13
0.286
MAK-UNK-3f402c2b-23
0.286
GIA-UNK-d2defdc3-4
0.286
MAR-TRE-3159af1a-44
0.284
MAX-MCD-16e3709a-1
0.283
DRA-CSI-0a78d9ba-2
0.283
MAR-TRE-2fd8122f-19
0.282
MAR-TRE-2fd8122f-29
0.282
MAK-UNK-15efde89-1
0.282
GIA-UNK-595fac82-5
0.282
JAG-SYN-9c2cd0bd-6
0.280
CHR-SOS-7098f804-7
0.279
GIA-UNK-5ec6c2b8-5
0.279
MAK-UNK-a7992eb3-8
0.279
MAR-TRE-e86a56b5-66
0.278
LON-WEI-120e5cf5-5
0.278
SAD-SAT-29425be4-4
0.278
ZAC-WAB-0847d168-1
0.278
JOH-UNI-522b0723-10
0.277
SAD-SAT-29425be4-23
0.277
CAS-DEP-e179b1f5-3
0.277