MMsINC Database Search


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MMsINC code: MMs02740342

Type: Neutral
Formula: C₁₅H₁₆N₂O₂

SMILES:

O=[N+]([O-])c1ccc(cc1)CNc1cc(cc(c1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7745 kcal/mol

Physical Properties
Molecular Weight: 256.305 g/mol	logS: -4.68731	SlogP: 4.09014	Reactive groups: 0

Topological Properties
Globularity: 0.0593963	Sterimol/B1: 2.20316	Sterimol/B2: 3.61672	Sterimol/B3: 3.61848
Sterimol/B4: 7.27683	Sterimol/L: 15.6052

Surface and Volume Properties
Accessible surface: 511.735	Positive charged surface: 274.414	Negative charged surface: 237.321	Volume: 255
Hydrophobic surface: 411.425	Hydrophilic surface: 100.31

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.