Molecular Properties | |
SMILES: | Cc1cccc(CN2CCN(C(=O)C(Cl)NC=O)CC2)c1 |
MW: | 309.797 |
Fraction sp3: | 0.47 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.65 |
cLogP: | 0.95012 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
alpha_halo_amine
alpha_halo_heteroatom
secondary_halide_sulfate
aldehyde
Filter52_NC_haloamine
Filter38_aldehyde
aldehyde
N-C-Hal or cyano methyl
formate_formide
AAR-POS-d2a4d1df-24
0.578
MAK-UNK-af83ef51-11
0.493
JOH-UNI-0e1753c1-1
0.432
JOO-PER-74f994a9-1
0.414
JOH-UNI-0e1753c1-2
0.408
JOK-SYG-18591e8f-1
0.400
MAK-UNK-6ca90168-13
0.397
AAR-POS-d2a4d1df-35
0.389
HYO-UNK-49a60884-1
0.389
MED-COV-4280ac29-15
0.389
JOH-UNI-0e1753c1-3
0.389
RED-RED-10c9212c-24
0.388
MAK-UNK-10dfa458-10
0.387
VIT-UNK-cff011c0-2
0.381
JOH-UNI-23d9e1b1-1
0.378
DRR-IMP-38dce17f-2
0.378
AHN-SAT-02ef6d10-10
0.378
SAD-SAT-c989feaa-8
0.376
MAK-UNK-af83ef51-6
0.364
JAN-GHE-1d98ec1c-8
0.362
MAK-UNK-cd94b63c-1
0.360
MAK-UNK-176ca439-3
0.360
STU-CHA-0be58c98-1
0.360
MAK-UNK-e4a48a85-17
0.360
PAT-UNK-b2d83456-1
0.360
MAT-POS-ee51dedd-1
0.359
SAD-SAT-1f400d17-1
0.357
WIL-LEE-23e8b574-3
0.354
PAT-UNK-b2d83456-2
0.351
MAK-UNK-3f402c2b-3
0.350
VIT-UNK-cff011c0-1
0.344
MAK-UNK-7c9d1431-24
0.343
DRR-IMP-38dce17f-3
0.343
PAT-UNK-b2d83456-3
0.342
JAN-GHE-1d98ec1c-2
0.338
MAK-UNK-176ca439-2
0.337
MAK-UNK-e4a48a85-16
0.336
DAV-SYG-f22c749d-3
0.333
MAK-UNK-10dfa458-11
0.329
MAK-UNK-af83ef51-20
0.327
TAM-UNI-d1c3dd9f-12
0.326
MAK-UNK-e4a48a85-18
0.323
ANT-OPE-c0c3e7cc-1
0.321
MAK-UNK-849bee6c-15
0.320
MAK-UNK-849bee6c-14
0.319
MAK-UNK-849bee6c-7
0.318
MAK-UNK-10dfa458-12
0.318
DAV-SYG-f22c749d-9
0.317
MAK-UNK-849bee6c-9
0.315
GIA-UNK-7337c2f3-8
0.313
MAK-UNK-e4a48a85-27
0.313
MAK-UNK-849bee6c-4
0.312
SAD-SAT-581007d4-2
0.312
JON-UIO-066ce08b-16
0.310
VIT-UNK-2a0afa28-3
0.310
JOO-IND-6372a4f3-6
0.310
MAK-UNK-849bee6c-3
0.309
JON-UIO-066ce08b-9
0.309
SAD-SAT-5b1897b2-5
0.309
NIR-THE-0d6461ce-1
0.309
MAK-UNK-849bee6c-6
0.309
MAK-UNK-10dfa458-14
0.309
AHN-SAT-02ef6d10-3
0.307
MED-COV-4280ac29-7
0.306
MAK-UNK-e4a48a85-7
0.305
MAK-UNK-3c359d2a-1
0.305
MAK-UNK-176ca439-4
0.305
MAK-UNK-10799360-3
0.304
SEA-TRI-9e600f3c-1
0.304
SIM-SYN-f15aaa3a-2
0.303
SAD-SAT-5b1897b2-4
0.303
SEL-UNI-cd366922-6
0.301
MAK-UNK-af83ef51-21
0.301
MAK-UNK-af83ef51-14
0.299
SEL-UNI-cd366922-8
0.299
MAK-UNK-849bee6c-8
0.299
MIH-UNI-e573136b-7
0.299
DRR-IMP-38dce17f-4
0.299
MAK-UNK-849bee6c-16
0.298
MAK-UNK-849bee6c-12
0.298
SAD-SAT-1f400d17-6
0.297
PAU-UNI-8cdd41c7-1
0.297
MAK-UNK-902cc841-2
0.297
BEN-VAN-c986b20b-8
0.297
MAK-UNK-849bee6c-13
0.296
MAK-UNK-849bee6c-17
0.296
BEN-VAN-c986b20b-10
0.295
BEN-VAN-c986b20b-2
0.295
BEN-VAN-c986b20b-3
0.295
SEL-UNI-cd366922-9
0.295
MAK-UNK-7c9d1431-20
0.295
SAD-SAT-b55127ae-4
0.295
SAD-SAT-7d5528d9-7
0.295
MAK-UNK-849bee6c-5
0.295
MED-COV-4280ac29-23
0.294
KIM-UNI-2ee5d8f9-1
0.293
ANT-OPE-d972fbad-1
0.293
MAK-UNK-7c9d1431-14
0.293
JON-UIO-066ce08b-11
0.293
RAF-POL-b61b4b25-9
0.293