MMsINC Database Search


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MMsINC code: MMs01123630

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃

SMILES:

Fc1ccc(NC(=O)CCNC(=O)c2ccoc2C)cc1

InChI:

InChI=1/C15H15FN2O3/c1-10-13(7-9-21-10)15(20)17-8-6-14(19)18-12-4-2-11(16)3-5-12/h2-5,7,9H,6,8H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2678 kcal/mol

Physical Properties
Molecular Weight: 290.294 g/mol	logS: -3.61638	SlogP: 2.48572	Reactive groups: 0

Topological Properties
Globularity: 0.0136287	Sterimol/B1: 2.03141	Sterimol/B2: 2.5531	Sterimol/B3: 2.99303
Sterimol/B4: 6.01317	Sterimol/L: 17.7326

Surface and Volume Properties
Accessible surface: 545.459	Positive charged surface: 298.87	Negative charged surface: 246.589	Volume: 265.25
Hydrophobic surface: 454.345	Hydrophilic surface: 91.114

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.