Molecular Properties | |
SMILES: | Cc1ccccc1C1c2ccccc2CN(C(=O)CCl)C1Cc1cccnc1 |
MW: | 390.914 |
Fraction sp3: | 0.25 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 33.2 |
cLogP: | 4.71422 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-1c77f7a9-1
0.725
DAV-CRI-1c77f7a9-8
0.720
DAV-CRI-1c77f7a9-4
0.667
JAV-UNI-4503e1e6-1
0.570
MIH-UNI-e573136b-14
0.451
DAV-CRI-1c77f7a9-2
0.438
DAV-CRI-1c77f7a9-3
0.429
DAV-CRI-1c77f7a9-6
0.420
MIH-UNI-e573136b-13
0.420
DAV-CRI-1c77f7a9-7
0.376
MAK-UNK-ec98eaf6-26
0.359
DRR-IMP-38dce17f-4
0.341
MIH-UNI-e573136b-3
0.333
DOU-UNK-b5326f8f-15
0.333
MAK-UNK-702fb7d3-7
0.326
NAU-LAT-64f4b287-5
0.316
SAD-SAT-29425be4-27
0.308
MAR-TRE-c8530538-64
0.308
DAR-DIA-caba39e3-2
0.297
NIR-THE-c331be7a-6
0.296
MAK-UNK-7c9d1431-20
0.292
AAR-POS-0daf6b7e-14
0.290
TRY-UNI-9f475305-12
0.289
LON-WEI-120e5cf5-21
0.289
PEI-IMP-ca0b2813-4
0.287
PEI-IMP-ca0b2813-1
0.286
MAK-UNK-90d0606b-9
0.284
MAR-TRE-c8530538-100
0.283
MAK-UNK-5d2caa6f-1
0.283
MAK-UNK-af83ef51-6
0.280
BRU-THA-92256091-45
0.279
STE-KUL-2e0d2e88-3
0.278
MAK-UNK-6ca90168-4
0.278
BRU-THA-92256091-35
0.276
MIC-UNK-df342a3f-1
0.275
ALP-POS-ced8ea4d-23
0.275
NIM-UNI-05f93fcc-6
0.275
BAR-COM-4e090d3a-8
0.274
ALP-POS-ced8ea4d-29
0.273
DAR-DIA-caba39e3-11
0.273
MAK-UNK-6ca90168-10
0.273
MAK-UNK-702fb7d3-14
0.272
MAK-UNK-af83ef51-8
0.271
LON-WEI-120e5cf5-11
0.271
MIC-UNK-df342a3f-2
0.270
NIM-UNI-310206f0-43
0.270
MAK-UNK-702fb7d3-12
0.270
MIH-UNI-e573136b-11
0.270
DAR-DIA-caba39e3-1
0.270
MIH-UNI-e573136b-9
0.270
NIR-THE-c331be7a-1
0.270
NIR-THE-c331be7a-4
0.270
WAR-XCH-79d12f6e-8
0.268
JAR-IMP-ed466bb3-2
0.267
MAT-POS-7174c657-3
0.265
MAK-UNK-3e0761f8-2
0.265
NIR-THE-c331be7a-2
0.265
MAK-UNK-702fb7d3-13
0.264
MAK-UNK-10799360-3
0.264
AAR-POS-d2a4d1df-24
0.264
WAR-XCH-b0339bbe-19
0.264
DAR-DIA-caba39e3-9
0.264
JAN-LUN-04aedcc0-6
0.264
LON-WEI-adc59df6-98
0.263
NIR-THE-c331be7a-3
0.262
IND-SYN-6c8299e8-3
0.262
DAV-CRI-3fe943ba-1
0.261
AAR-POS-d2a4d1df-41
0.260
TAT-ENA-80bfd3e5-20
0.260
DUN-NEW-d8381160-1
0.260
ALP-POS-e980f4ea-29
0.260
MAK-UNK-ec98eaf6-20
0.260
MAK-UNK-3e0761f8-5
0.260
TAM-UNI-d1c3dd9f-10
0.259
NIM-UNI-310206f0-46
0.259
MAK-UNK-5d2caa6f-9
0.259
SAD-SAT-5b1897b2-1
0.258
DAR-DIA-caba39e3-5
0.258
DAR-DIA-caba39e3-6
0.258
MAK-UNK-3f402c2b-3
0.258
CHA-MCP-85291e1d-7
0.257
THO-SYG-f9b2970d-2
0.257
THO-SYG-f9b2970d-4
0.257
MAK-UNK-3e0761f8-6
0.257
MIH-UNI-e573136b-2
0.257
DAR-DIA-caba39e3-3
0.257
TAM-UNI-d1c3dd9f-8
0.257
TAM-UNI-d1c3dd9f-11
0.256
ALP-POS-e980f4ea-23
0.256
MAK-UNK-af83ef51-2
0.255
GIA-UNK-7337c2f3-9
0.255
MED-COV-4280ac29-8
0.255
MAT-POS-b5746674-1
0.254
DAR-DIA-caba39e3-10
0.254
DAR-DIA-caba39e3-13
0.254
MAR-TRE-c8530538-88
0.252
THO-SYG-f9b2970d-1
0.252
THO-SYG-f9b2970d-3
0.252
NIM-UNI-310206f0-28
0.252
MAR-TRE-c8530538-15
0.252