MMsINC Database Search


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MMsINC code: MMs02804285

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O(Cc1ccc(cc1)C)C(=O)NCc1cccnc1

InChI:

InChI=1/C15H16N2O2/c1-12-4-6-13(7-5-12)11-19-15(18)17-10-14-3-2-8-16-9-14/h2-9H,10-11H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.9608 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -2.59151	SlogP: 3.34922	Reactive groups: 0

Topological Properties
Globularity: 0.0678725	Sterimol/B1: 2.40347	Sterimol/B2: 3.44834	Sterimol/B3: 3.96076
Sterimol/B4: 5.76292	Sterimol/L: 17.2295

Surface and Volume Properties
Accessible surface: 532.722	Positive charged surface: 352.899	Negative charged surface: 179.823	Volume: 258.75
Hydrophobic surface: 442.947	Hydrophilic surface: 89.775

Pharmacophoric Properties
Hydrogen bond donors: 1	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.