Molecular Properties | |
SMILES: | Cc1ccc(OCC(=O)Nc2ccc(C#N)cn2)cc1 |
MW: | 267.288 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.01 |
cLogP: | 2.2792 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1126792367 |
Enamine Extended REAL: | s_11____3203584____54611 |
Mcule: | MCULE-6704315150 |
Mcule Ultimate: | PXLXLUZIZVZOGW-UHFFFAOYSA-N |
AAR-POS-d2a4d1df-5
MAT-POS-b5746674-74
0.419
MAR-TRE-1c920f6f-91
0.403
MAT-POS-b5746674-72
0.397
MAK-UNK-30aad1f1-17
0.397
AAR-POS-d2a4d1df-5
0.397
MAK-UNK-752736de-11
0.384
WAR-XCH-72a8c209-1
0.366
MAK-UNK-5e88aa6a-1
0.358
AAR-POS-d2a4d1df-6
0.353
MAR-TRE-1c920f6f-78
0.347
MAR-TRE-6c5ef77a-57
0.343
MAK-UNK-30aad1f1-3
0.341
MAK-UNK-30aad1f1-7
0.329
MAK-UNK-30aad1f1-2
0.325
MAK-UNK-30aad1f1-14
0.325
MAK-UNK-30aad1f1-12
0.321
MAK-UNK-30aad1f1-15
0.318
MAK-UNK-30aad1f1-16
0.317
SAD-SAT-cefd50cc-7
0.315
NAU-LAT-42d4957e-1
0.315
MAK-UNK-30aad1f1-6
0.315
MAK-UNK-acefcb18-16
0.309
MAK-UNK-30aad1f1-8
0.306
MAK-UNK-30aad1f1-4
0.303
MAK-UNK-30aad1f1-9
0.302
MAK-UNK-acefcb18-22
0.302
MAK-UNK-af83ef51-32
0.302
MAK-UNK-30aad1f1-1
0.300
PET-SGC-cb83a00c-1
0.299
MAK-UNK-af83ef51-26
0.296
MAK-UNK-acefcb18-23
0.292
JOH-IMS-cc7b4c67-2
0.291
MAK-UNK-acefcb18-21
0.290
PET-SGC-fedd1f79-1
0.289
MAK-UNK-acefcb18-24
0.286
MAK-UNK-af83ef51-25
0.284
MAR-LAB-ff9967db-8
0.284
BEN-VAN-77cef4f8-13
0.280
BEN-VAN-77cef4f8-14
0.280
MAK-UNK-752736de-7
0.278
TRY-UNI-1fd04853-12
0.276
MAT-POS-b5746674-71
0.276
VIK-SYN-9a3d118a-8
0.275
JOH-IMS-cc7b4c67-4
0.275
MAK-UNK-acefcb18-20
0.275
BEN-VAN-ed886787-11
0.275
BEN-VAN-77cef4f8-7
0.275
BEN-VAN-77cef4f8-8
0.275
KEI-TRE-d5e2018a-14
0.274
MAK-UNK-51bb34f9-1
0.274
MAR-TRE-f6f5f473-63
0.272
TRY-UNI-1fd04853-2
0.271
MAK-UNK-af83ef51-23
0.270
MAK-UNK-af83ef51-24
0.270
JOH-IMS-cc7b4c67-6
0.270
MAR-TRE-0fda4e82-11
0.269
BEN-VAN-77cef4f8-9
0.269
ALE-UNK-fca05062-8
0.268
MAR-TRE-14ce9fd6-78
0.268
WAR-XCH-b0339bbe-16
0.267
MAR-TRE-0fda4e82-81
0.266
MAK-UNK-c97f7c8f-1
0.266
TRY-UNI-1fd04853-1
0.264
PET-SGC-175e168c-1
0.264
MAK-UNK-acefcb18-1
0.263
TRY-UNI-bbd40bb4-1
0.261
MAK-UNK-9955b1f3-11
0.260
MAK-UNK-acefcb18-17
0.260
BEN-VAN-77cef4f8-11
0.259
BEN-VAN-77cef4f8-10
0.259
MAR-TRE-92684b97-69
0.259
TRY-UNI-1fd04853-3
0.258
MAR-TRE-14ce9fd6-26
0.257
BEN-VAN-77cef4f8-12
0.257
MAR-TRE-1c920f6f-97
0.256
THO-SYG-cc9e9a11-4
0.255
JOH-IMS-cc7b4c67-8
0.255
MAK-UNK-72659d64-3
0.254
IND-SYN-2c708b29-4
0.254
MAK-UNK-acefcb18-2
0.253
MAR-TRE-a3327163-43
0.253
PET-SGC-0f1d26ed-1
0.253
SAD-SAT-cefd50cc-10
0.253
MAR-TRE-6c5ef77a-35
0.253
TRY-UNI-bbd40bb4-2
0.253
MAR-TRE-0fda4e82-14
0.250
ALE-UNK-fca05062-7
0.250
NAU-LAT-42d4957e-2
0.250
MAR-TRE-04c86cea-84
0.250
JAN-GHE-bf40f168-1
0.248
JAN-GHE-bf40f168-2
0.248
TRY-UNI-2eddb1ff-6
0.247
RAL-THA-901e9a10-3
0.247
MAR-TRE-a3327163-71
0.247
MAR-TRE-0fda4e82-96
0.247
MAK-UNK-516d8086-1
0.247
MAR-TRE-a3327163-97
0.247
MAR-TRE-a3327163-42
0.247
MAR-TRE-0fda4e82-56
0.247
PET-SGC-0f1d26ed-2
0.247