Molecular Properties | |
SMILES: | O=C(CCl)N1Cc2ccccc2C(c2ccccc2)C1C#Cc1cccnc1 |
MW: | 386.882 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 4.2148 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
triple bond
DAV-CRI-1c77f7a9-2
0.516
DAV-CRI-1c77f7a9-1
0.516
DAV-CRI-1c77f7a9-6
0.511
MIH-UNI-e573136b-13
0.449
DAV-CRI-1c77f7a9-7
0.448
JAV-UNI-4503e1e6-1
0.436
DAV-CRI-1c77f7a9-5
0.429
DAV-CRI-1c77f7a9-8
0.424
DAV-CRI-1c77f7a9-4
0.408
MIH-UNI-e573136b-14
0.383
MAK-UNK-702fb7d3-7
0.379
AAR-POS-0daf6b7e-14
0.348
JAR-IMP-ed466bb3-2
0.304
NIR-THE-c331be7a-2
0.303
MIC-UNK-df342a3f-1
0.299
MAK-UNK-ec98eaf6-20
0.297
NAU-LAT-64f4b287-4
0.293
TRY-UNI-9f475305-12
0.289
MAK-UNK-702fb7d3-17
0.288
MIH-UNI-e573136b-10
0.286
MAK-UNK-ec98eaf6-26
0.284
DAR-DIA-caba39e3-2
0.284
MAK-UNK-702fb7d3-1
0.284
NIR-THE-c331be7a-1
0.283
DAR-DIA-caba39e3-1
0.283
MIH-UNI-e573136b-11
0.283
JAR-IMP-ed466bb3-8
0.283
NIR-THE-c331be7a-6
0.283
MAK-UNK-702fb7d3-13
0.283
DAV-CRI-b7083e67-1
0.281
MAK-UNK-5d2caa6f-9
0.281
THO-SYG-4e0386bb-1
0.280
MAK-UNK-702fb7d3-5
0.279
JAR-IMP-ed466bb3-3
0.276
MIH-UNI-e573136b-15
0.276
NAU-LAT-64f4b287-5
0.276
MAK-UNK-702fb7d3-3
0.274
DUN-NEW-d8381160-1
0.273
MAK-UNK-702fb7d3-14
0.272
LON-WEI-120e5cf5-11
0.271
NIR-THE-c331be7a-4
0.270
MIH-UNI-e573136b-9
0.270
MAK-UNK-5d2caa6f-1
0.270
MAK-UNK-702fb7d3-19
0.269
MAK-UNK-702fb7d3-21
0.269
DOU-UNK-b5326f8f-15
0.268
MIH-UNI-e573136b-2
0.268
MAR-TRE-6a44bbf2-99
0.267
REN-UFA-aaaed2d6-3
0.267
DRR-IMP-38dce17f-4
0.267
MAK-UNK-702fb7d3-10
0.266
MAK-UNK-3f402c2b-23
0.265
CHR-SOS-b301fc01-2
0.265
MAK-UNK-702fb7d3-2
0.265
MAK-UNK-702fb7d3-18
0.265
REN-UFA-aaaed2d6-5
0.264
JAR-IMP-ed466bb3-14
0.264
DAR-DIA-caba39e3-9
0.264
WAR-XCH-b0339bbe-19
0.264
MIH-UNI-e573136b-3
0.263
REN-UFA-aaaed2d6-2
0.262
DAV-CRI-3fe943ba-1
0.261
MAK-UNK-702fb7d3-12
0.261
DAR-DIA-fc970077-7
0.260
NIM-UNI-0ea3b7bf-5
0.260
MIC-UNK-df342a3f-2
0.259
RAI-NOV-a7d52b4a-4
0.259
TAM-UNI-d1c3dd9f-7
0.259
PEI-IMP-ca0b2813-1
0.258
JAR-IMP-ed466bb3-16
0.257
THO-SYG-f9b2970d-4
0.257
RAI-NOV-a7d52b4a-2
0.257
THO-SYG-f9b2970d-2
0.257
TAM-UNI-d1c3dd9f-8
0.257
DAV-CRI-f4772df7-3
0.256
MAK-UNK-702fb7d3-9
0.255
MAK-UNK-df1a028e-7
0.255
REN-UFA-aaaed2d6-4
0.255
SAL-INS-1c7a5a55-5
0.255
DAR-DIA-caba39e3-13
0.254
MAR-TRE-74c6519b-51
0.252
THO-SYG-f9b2970d-3
0.252
REN-UFA-aaaed2d6-6
0.252
RAI-NOV-a7d52b4a-5
0.252
DAV-CRI-8c8dd668-1
0.252
MAK-UNK-5d2caa6f-11
0.252
DAR-DIA-caba39e3-12
0.252
DAR-DIA-fc970077-12
0.250
DAR-DIA-caba39e3-7
0.250
MAK-UNK-702fb7d3-20
0.250
JAR-IMP-ed466bb3-13
0.250
IND-SYN-6c8299e8-3
0.250
MAK-UNK-702fb7d3-8
0.250
DAV-CRI-f4772df7-1
0.250
DAV-CRI-f4772df7-2
0.250
DAR-DIA-caba39e3-8
0.250
MAK-UNK-702fb7d3-4
0.248
MAK-UNK-702fb7d3-6
0.248
DAV-CRI-3fe943ba-2
0.248
FOC-CAS-e3a94da8-1
0.248