Molecular Properties | |
SMILES: | O=C(NC(=O)c1ccccc1)NC1CCCCC1 |
MW: | 246.31 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 58.2 |
cLogP: | 2.4587 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter93_acetyl_urea
ALE-HEI-f28a35b5-8
0.381
AAR-POS-0daf6b7e-5
0.381
AAR-POS-d2a4d1df-12
0.369
GIA-UNK-d2defdc3-2
0.365
TRY-UNI-714a760b-11
0.348
ALE-HEI-f28a35b5-7
0.348
TRY-UNI-714a760b-7
0.338
GIA-UNK-d2defdc3-5
0.338
AAR-UNI-c25c2f1e-3
0.329
PET-SGC-a9e9d4f4-1
0.326
DAR-DIA-03336633-13
0.321
DAR-DIA-03336633-2
0.321
SAD-SAT-edc8a235-1
0.321
DAR-DIA-03336633-1
0.318
HAN-NEW-5f56c3bc-3
0.318
GIA-UNK-d2defdc3-4
0.315
CHR-SOS-7098f804-9
0.315
DAR-DIA-03336633-7
0.314
MAR-LAB-efb042c5-2
0.309
MAD-UNK-1cc096ab-1
0.307
MAD-UNK-d7ec037c-1
0.307
MAD-UNK-d7ec037c-3
0.307
MAD-UNK-3bd48932-1
0.307
MAD-UNK-4169353f-1
0.307
LON-WEI-4d77710c-27
0.300
MAK-UNK-f2409524-19
0.300
LON-WEI-5e7d1b3e-27
0.300
MAK-UNK-f2409524-7
0.298
WAR-XCH-bdd24732-36
0.295
CES-WAB-18e74d70-1
0.291
PET-SGC-c429dc17-1
0.291
AAR-UNI-c25c2f1e-96
0.291
MAR-TRE-14ce9fd6-1
0.289
SIM-SYN-7db9eb24-2
0.289
NIC-UNI-80385019-1
0.287
WAR-XCH-bdd24732-37
0.286
CHR-SOS-7098f804-6
0.286
MAK-UNK-f2409524-5
0.284
MAK-UNK-f2409524-3
0.282
GIA-UNK-3f36037a-1
0.281
KOV-VNK-5e1a909f-37
0.281
WAR-XCH-bdd24732-42
0.281
LON-WEI-af038623-1
0.280
GIA-UNK-d2defdc3-6
0.278
MIC-SGC-657978c3-8
0.278
MIC-SGC-657978c3-2
0.276
MAR-TRE-f6f5f473-89
0.276
MAK-UNK-f2409524-16
0.275
DAR-DIA-03336633-12
0.275
MAK-UNK-3f402c2b-18
0.274
MAK-UNK-f2409524-4
0.274
MAK-UNK-f2409524-15
0.274
MAK-UNK-f2409524-18
0.274
MAR-TRE-3159af1a-49
0.274
AAR-UNI-c25c2f1e-69
0.274
MAK-UNK-f983951f-24
0.273
DOU-UNK-b5326f8f-3
0.272
ZAC-WAB-0847d168-1
0.271
MAK-UNK-f2409524-14
0.271
GIA-UNK-5ec6c2b8-1
0.270
SIM-SYN-7db9eb24-1
0.268
MAK-UNK-f2409524-20
0.266
MAR-TRE-fd17a9b8-96
0.265
MAT-POS-ea426761-47
0.264
STE-KUL-2e0d2e88-1
0.264
CAS-DEP-167c18e3-2
0.263
MAK-UNK-f983951f-19
0.263
MAK-UNK-10799360-2
0.262
GIA-UNK-3f36037a-3
0.262
DAR-DIA-03336633-5
0.261
MAK-UNK-f2409524-31
0.261
DAR-DIA-eace69ff-6
0.261
SAN-PRS-52b81272-1
0.261
GIA-UNK-d2defdc3-1
0.260
MAR-TRE-b77b7921-35
0.259
MAR-TRE-74c6519b-48
0.259
MAK-UNK-f2409524-33
0.258
GIA-UNK-595fac82-2
0.257
GIA-UNK-20b63697-6
0.257
MED-UNK-7e7dab56-11
0.256
MAT-POS-b5746674-13
0.256
LON-WEI-adc59df6-8
0.256
WAR-XCH-bdd24732-29
0.253
NIM-NMI-8bb27a2b-15
0.253
DAR-DIA-03336633-3
0.253
AAR-UNI-c25c2f1e-82
0.250
WAR-XCH-bdd24732-44
0.250
CLI-TLC-0925f3e9-1
0.250
AAR-UNI-c25c2f1e-2
0.250
AAR-UNI-c25c2f1e-65
0.250
MAK-UNK-f2409524-32
0.247
MAK-UNK-b2c98f02-5
0.247
MAR-TRE-8190bb11-41
0.247
GIA-UNK-d2defdc3-7
0.247
MAK-UNK-f2409524-35
0.245
DAR-DIA-03336633-4
0.245
NIC-UNI-f08e2453-2
0.245
MAK-UNK-f2409524-6
0.244
AAR-POS-fca48359-1
0.243
MAR-TRE-e86a56b5-69
0.243