MMsINC Database Search


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MMsINC code: MMs00612207

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(C)c1ccc(NC(=O)Nc2ccc(cc2)C)cc1

InChI:

InChI=1/C15H16N2O2/c1-11-3-5-12(6-4-11)16-15(18)17-13-7-9-14(19-2)10-8-13/h3-10H,1-2H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1196 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -3.77635	SlogP: 3.64762	Reactive groups: 0

Topological Properties
Globularity: 0.0267973	Sterimol/B1: 2.56853	Sterimol/B2: 2.74911	Sterimol/B3: 2.93853
Sterimol/B4: 5.86104	Sterimol/L: 17.0008

Surface and Volume Properties
Accessible surface: 517.109	Positive charged surface: 340.33	Negative charged surface: 176.779	Volume: 253.375
Hydrophobic surface: 445.993	Hydrophilic surface: 71.116

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.