Molecular Properties | |
SMILES: | Cc1cccc(CN2CCN(C(O)C(C)Cl)CC2)c1 |
MW: | 282.815 |
Fraction sp3: | 0.6 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 26.71 |
cLogP: | 2.05832 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_acetal
secondary_halide_sulfate
Filter1_2_halo_ether
Filter84_nitrogen_mustard
Alkyl Halide
AAR-POS-d2a4d1df-24
0.533
MAK-UNK-af83ef51-10
0.493
JOO-PER-74f994a9-1
0.475
RED-RED-10c9212c-24
0.417
SAD-SAT-c989feaa-8
0.350
DRR-IMP-38dce17f-2
0.348
JOH-UNI-23d9e1b1-1
0.348
JOH-UNI-0e1753c1-3
0.338
HYO-UNK-49a60884-1
0.338
AAR-POS-d2a4d1df-35
0.338
MED-COV-4280ac29-15
0.338
MAK-UNK-3f402c2b-3
0.338
MAK-UNK-e4a48a85-17
0.337
MAK-UNK-af83ef51-6
0.333
JOK-SYG-18591e8f-1
0.333
JOH-UNI-0e1753c1-1
0.329
PAT-UNK-b2d83456-1
0.329
JOH-IMS-1436231f-6
0.328
AAR-POS-0daf6b7e-29
0.328
MAK-UNK-e4a48a85-9
0.324
MAK-UNK-af83ef51-8
0.320
PAT-UNK-b2d83456-2
0.319
MAK-UNK-10dfa458-10
0.319
JOH-UNI-0e1753c1-2
0.319
STU-CHA-0be58c98-1
0.317
JAN-GHE-1d98ec1c-8
0.316
MAK-UNK-10dfa458-11
0.316
PAT-UNK-b2d83456-3
0.311
MAT-POS-ee51dedd-1
0.311
AHN-SAT-02ef6d10-10
0.310
MAK-UNK-6ca90168-13
0.310
MAK-UNK-e4a48a85-11
0.308
JAN-GHE-1d98ec1c-2
0.307
WIL-LEE-23e8b574-3
0.307
VIT-UNK-cff011c0-2
0.305
MAK-UNK-af83ef51-5
0.304
MAK-UNK-176ca439-3
0.301
MAK-UNK-cd94b63c-1
0.301
JOH-ILL-da934517-4
0.300
GIA-UNK-7337c2f3-8
0.299
JOH-ILL-da934517-3
0.299
MAK-UNK-176ca439-2
0.295
MAK-UNK-af83ef51-9
0.293
MED-COV-4280ac29-7
0.291
MAK-UNK-10799360-3
0.291
MAK-UNK-e4a48a85-16
0.290
MAK-UNK-af83ef51-7
0.289
MAK-UNK-7c9d1431-24
0.288
DRR-IMP-38dce17f-3
0.288
DAN-LON-a5fc619e-4
0.287
MAK-UNK-e4a48a85-4
0.287
MAK-UNK-e4a48a85-10
0.286
MIH-UNI-e573136b-7
0.284
JOH-ILL-da934517-2
0.282
SEL-UNI-cd366922-9
0.280
DAV-SYG-f22c749d-3
0.280
MAK-UNK-849bee6c-15
0.280
VIT-UNK-2a0afa28-3
0.278
MED-COV-4280ac29-23
0.278
WAL-WAB-df110a02-2
0.277
MAK-UNK-849bee6c-14
0.276
DAV-SYG-f22c749d-9
0.275
VIT-UNK-cff011c0-1
0.275
SIM-SYN-f15aaa3a-2
0.274
MAK-UNK-849bee6c-7
0.274
MAK-UNK-10dfa458-12
0.274
MAK-UNK-af83ef51-20
0.274
MAK-UNK-e4a48a85-15
0.274
SAD-SAT-7d5528d9-3
0.273
JAG-UCB-ef2c0e8e-8
0.273
MAK-UNK-849bee6c-8
0.272
SAD-SAT-7d5528d9-18
0.271
JOH-UNI-0e1753c1-4
0.271
MAK-UNK-849bee6c-9
0.271
MED-COV-4280ac29-13
0.269
SAD-SAT-7d5528d9-19
0.269
SAD-SAT-5b1897b2-4
0.268
TAM-UNI-d1c3dd9f-12
0.267
MAK-UNK-849bee6c-6
0.267
SAD-SAT-1f400d17-1
0.265
UNK-UNK-2ede4078-98
0.264
MAK-UNK-3c359d2a-1
0.264
MAK-UNK-176ca439-4
0.264
JOH-IMS-7e73aedd-4
0.262
SAD-SAT-7d5528d9-16
0.262
SAD-SAT-7d5528d9-1
0.261
VIT-UNK-2a0afa28-2
0.261
FRA-BIO-8bf1eac9-4
0.260
SAD-SAT-581007d4-2
0.260
SAD-SAT-5b1897b2-5
0.260
RAF-POL-b61b4b25-9
0.260
JAR-KUA-41bd5a3d-2
0.259
JOH-ILL-da934517-1
0.259
SAD-SAT-7d5528d9-13
0.258
SAD-SAT-7d5528d9-2
0.258
DRA-CSI-47e38074-2
0.258
GIA-UNK-595fac82-5
0.257
SAD-SAT-7d5528d9-21
0.256
MAK-UNK-e4a48a85-6
0.256
MAR-TRE-f6f5f473-49
0.256