MMsINC Database Search


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MMsINC code: MMs00274423

Type: Neutral
Formula: C₁₇H₁₈N₂O₃

SMILES:

O(CC)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1

InChI:

InChI=1/C17H18N2O3/c1-2-22-15-10-8-14(9-11-15)19-17(21)16(20)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.976 kcal/mol

Physical Properties
Molecular Weight: 298.342 g/mol	logS: -3.90503	SlogP: 2.6066	Reactive groups: 0

Topological Properties
Globularity: 0.031925	Sterimol/B1: 2.61518	Sterimol/B2: 3.66982	Sterimol/B3: 3.88261
Sterimol/B4: 5.40926	Sterimol/L: 19.8522

Surface and Volume Properties
Accessible surface: 587.911	Positive charged surface: 361.114	Negative charged surface: 226.797	Volume: 291
Hydrophobic surface: 455.014	Hydrophilic surface: 132.897

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.