MMsINC Database Search


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MMsINC code: MMs03127558

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCNC(=O)c1ccoc1

InChI:

InChI=1/C15H15FN2O3/c16-13-3-1-11(2-4-13)9-18-14(19)5-7-17-15(20)12-6-8-21-10-12/h1-4,6,8,10H,5,7,9H2,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9521 kcal/mol

Physical Properties
Molecular Weight: 290.294 g/mol	logS: -3.24703	SlogP: 2.1214	Reactive groups: 0

Topological Properties
Globularity: 0.0348714	Sterimol/B1: 2.42026	Sterimol/B2: 3.74956	Sterimol/B3: 3.89379
Sterimol/B4: 4.81937	Sterimol/L: 19.3297

Surface and Volume Properties
Accessible surface: 548.624	Positive charged surface: 290.44	Negative charged surface: 258.184	Volume: 269.375
Hydrophobic surface: 435.271	Hydrophilic surface: 113.353

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.