Molecular Properties | |
SMILES: | O=C(CCl)N1CCC(NC2(c3cccnc3)CCCCC2)CC1 |
MW: | 335.879 |
Fraction sp3: | 0.67 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 3.0604 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
WAR-XCH-79d12f6e-8
0.507
WAR-XCH-e55cba98-7
0.420
LON-WEI-120e5cf5-11
0.418
WAR-XCH-b0339bbe-7
0.398
WAR-XCH-e55cba98-9
0.388
DRR-IMP-38dce17f-4
0.387
WAR-XCH-e55cba98-6
0.371
AAR-POS-0daf6b7e-5
0.364
STE-KUL-2e0d2e88-3
0.357
SAD-SAT-29425be4-27
0.355
GIA-UNK-a79af1bc-1
0.354
PEI-IMP-ca0b2813-1
0.354
MAR-TRE-6a44bbf2-9
0.354
WAR-XCH-79d12f6e-7
0.350
PEI-IMP-ca0b2813-4
0.348
WAR-XCH-b0339bbe-19
0.344
MAK-UNK-212f693e-13
0.342
NIR-THE-0d6461ce-1
0.341
CHR-SOS-f7373dd1-2
0.337
LON-WEI-120e5cf5-21
0.337
MAR-TRE-6a44bbf2-15
0.329
WAR-XCH-79d12f6e-4
0.329
AAR-POS-0daf6b7e-6
0.329
AAR-POS-0daf6b7e-9
0.329
VIR-GIT-7b3d3065-2
0.329
MAK-UNK-750cfbcc-5
0.329
SAD-SAT-89668ff1-3
0.323
MAK-UNK-c97f7c8f-1
0.321
MAK-UNK-987948f6-15
0.321
WAR-XCH-b6889685-36
0.319
NIM-UNI-05f93fcc-6
0.319
WAR-XCH-79d12f6e-9
0.318
MAK-UNK-c97f7c8f-2
0.314
CHR-SOS-f7373dd1-5
0.313
WAR-XCH-b6889685-39
0.311
LON-WEI-120e5cf5-13
0.310
CHR-SOS-f7373dd1-1
0.310
NIR-THE-0d6461ce-9
0.310
LON-WEI-120e5cf5-15
0.309
MAR-TRE-6a44bbf2-86
0.309
BEN-DND-6de5dfa0-16
0.307
LON-WEI-120e5cf5-19
0.307
NIR-THE-b7e8e081-2
0.307
WAR-XCH-bdd24732-16
0.304
MAK-UNK-6ca90168-11
0.304
MAR-TRE-6a44bbf2-79
0.301
MAK-UNK-750cfbcc-3
0.301
BEN-DND-76ad4ac9-4
0.301
NIR-THE-0d6461ce-5
0.301
NIR-THE-0d6461ce-7
0.301
MAK-UNK-5d2caa6f-1
0.300
MAK-UNK-ec98eaf6-26
0.300
YOI-UNK-12211982-6
0.300
YOI-UNK-a533afbc-6
0.300
CHR-SOS-59746812-6
0.299
MAR-TRE-04c86cea-86
0.299
VIK-SYN-9a3d118a-8
0.299
DRR-IMP-38dce17f-6
0.299
SAD-SAT-d8079f6f-4
0.299
THO-SYG-f9b2970d-2
0.298
MAK-UNK-af83ef51-6
0.298
BEN-DND-76ad4ac9-7
0.298
NIM-UNI-310206f0-46
0.297
THO-SYG-f9b2970d-6
0.297
MAK-UNK-212f693e-32
0.296
MAK-UNK-10dfa458-35
0.295
SAD-SAT-f2e2579e-1
0.292
SAD-SAT-d8079f6f-5
0.292
SAD-SAT-d8079f6f-3
0.292
MAK-UNK-3d7e3904-1
0.292
WAR-XCH-b6889685-37
0.292
NIM-UNI-310206f0-27
0.291
SAD-SAT-5b1897b2-1
0.291
GIA-UNK-20b63697-6
0.291
LON-WEI-120e5cf5-16
0.291
WAR-XCH-e55cba98-3
0.290
MED-UNK-e6e8ef8a-6
0.289
MED-UNK-e6e8ef8a-7
0.289
LON-WEI-120e5cf5-20
0.289
LON-WEI-120e5cf5-5
0.289
DUN-NEW-f8ce3686-3
0.289
MAK-UNK-3d7e3904-2
0.289
LON-WEI-120e5cf5-1
0.289
LON-WEI-120e5cf5-17
0.289
AAR-POS-5507155c-2
0.289
AAR-POS-f650c5f2-4
0.289
SAD-SAT-9a6c5cf3-9
0.289
MAK-UNK-69bf97dd-7
0.289
LON-WEI-120e5cf5-2
0.289
MAK-UNK-a7992eb3-9
0.288
LON-WEI-120e5cf5-6
0.288
NIM-UNI-310206f0-28
0.288
SAD-SAT-d8079f6f-6
0.288
MAK-UNK-ca11b4f7-1
0.288
MAK-UNK-750cfbcc-2
0.288
CHR-SOS-f7373dd1-4
0.287
WAR-XCH-b0339bbe-3
0.287
WAR-XCH-e55cba98-11
0.287
MAK-UNK-69bf97dd-10
0.287
SAD-SAT-f2e2579e-8
0.286