Molecular Properties | |
SMILES: | Cc1cscc1C(NC(=O)Nc1cccnc1)N1CCC(O)CC1 |
MW: | 346.456 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 77.49 |
cLogP: | 2.72852 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
non_ring_acetal
acyclic N-C-N
MAK-UNK-009ebe36-10
0.398
DAR-DIA-842b4336-2
0.380
BEN-DND-362d364a-11
0.379
ANT-DIA-3c79be55-5
0.375
SAD-SAT-689b7d5a-10
0.375
DAR-DIA-842b4336-1
0.372
ASH-UNK-40b46b30-9
0.367
DAR-DIA-842b4336-3
0.358
MAK-UNK-009ebe36-3
0.358
ALE-HEI-f28a35b5-8
0.354
JOR-UNI-2fc98d0b-3
0.354
SAD-SAT-689b7d5a-2
0.354
SAD-SAT-689b7d5a-6
0.352
ALE-HEI-f28a35b5-4
0.349
JOR-UNI-2fc98d0b-13
0.347
DAR-DIA-842b4336-7
0.345
FRA-FAC-9ed5a63a-3
0.345
MAK-UNK-d1e89583-3
0.345
FRA-FAC-9ed5a63a-4
0.345
JAG-UCB-a3ef7265-7
0.344
SAD-SAT-135344c3-4
0.344
JOR-UNI-61e7b1d5-6
0.343
ALE-HEI-f28a35b5-15
0.342
WAR-XCH-eb7b662f-6
0.341
WAR-XCH-eb7b662f-5
0.341
MIH-UNI-6b9ca91a-2
0.340
SAD-SAT-135344c3-5
0.340
JOR-UNI-61e7b1d5-5
0.340
AAR-POS-d2a4d1df-11
0.338
MAK-UNK-d1e89583-7
0.337
WIL-UNI-5578df48-30
0.333
MAR-TRE-7f7bb9f0-30
0.333
MAR-TRE-9c797165-52
0.333
JOH-IMS-62aeb97d-3
0.333
ASH-UNK-40b46b30-13
0.333
SAD-SAT-689b7d5a-9
0.333
SAD-SAT-135344c3-9
0.333
JOR-UNI-61e7b1d5-24
0.333
WIL-UNI-5578df48-17
0.333
JOH-IMS-62aeb97d-5
0.333
DUN-NEW-f8ce3686-17
0.330
MAR-TRE-7f7bb9f0-8
0.330
CAS-DEP-e179b1f5-1
0.330
MAK-UNK-009ebe36-8
0.330
MAR-TRE-67513f76-13
0.330
DAR-DIA-842b4336-11
0.329
MED-UNK-e6e8ef8a-1
0.329
DAR-DIA-23aa0b97-15
0.329
SAD-SAT-689b7d5a-7
0.327
MAR-TRE-2fd8122f-19
0.327
MAR-TRE-2fd8122f-29
0.327
MAR-TRE-67513f76-73
0.326
LON-WEI-120e5cf5-11
0.326
MAK-UNK-d1e89583-9
0.326
MED-UNK-e6e8ef8a-3
0.326
ALE-HEI-f28a35b5-16
0.325
DAR-DIA-842b4336-4
0.325
PET-SGC-a8a902d9-1
0.324
MAR-TRE-2fd8122f-30
0.323
SAD-SAT-135344c3-2
0.323
BAR-COM-5694a99d-1
0.323
MAT-POS-13203bf4-1
0.323
DAR-DIA-842b4336-9
0.322
MAK-UNK-d1e89583-4
0.321
DAR-DIA-842b4336-10
0.321
JOR-UNI-61e7b1d5-25
0.321
MAK-UNK-009ebe36-9
0.320
MAK-UNK-ca11b4f7-3
0.320
MAK-UNK-129dcd6f-12
0.319
MAR-TRE-f6f5f473-84
0.319
ADA-UNI-f8e79267-6
0.319
MAR-TRE-d0525fbf-90
0.319
MED-UNK-e6e8ef8a-4
0.318
MAK-UNK-d1e89583-5
0.318
MAR-TRE-2fd8122f-81
0.318
DAR-DIA-842b4336-6
0.318
AAR-POS-d2a4d1df-13
0.318
FRA-FAC-9ed5a63a-1
0.318
ALE-HEI-f28a35b5-9
0.318
MAK-UNK-d1e89583-2
0.318
WAR-XCH-eb7b662f-3
0.317
MAR-TRE-2fd8122f-96
0.316
MAR-TRE-7f7bb9f0-82
0.316
MAR-TRE-7f7bb9f0-33
0.316
TRY-UNI-bbd40bb4-4
0.316
CHA-KIN-45d1307a-1
0.315
IAN-BAS-df1706d7-1
0.315
NAU-LAT-64f4b287-10
0.315
SAD-SAT-689b7d5a-3
0.315
DAR-DIA-842b4336-12
0.314
MED-UNK-e6e8ef8a-5
0.314
MED-UNK-e6e8ef8a-7
0.314
WIL-UNI-5578df48-21
0.314
ALE-HEI-f28a35b5-5
0.314
CHR-SOS-363cfb78-1
0.314
DAR-DIA-842b4336-5
0.314
WAR-XCH-eb7b662f-4
0.314
DAR-DIA-842b4336-8
0.314
MAK-UNK-d1e89583-1
0.313
TRY-UNI-bbd40bb4-3
0.313