MMsINC Database Search


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MMsINC code: MMs00797707

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)Nc2cc(ccc2)C)cc1

InChI:

InChI=1/C16H18N2O2/c1-3-20-15-9-7-13(8-10-15)17-16(19)18-14-6-4-5-12(2)11-14/h4-11H,3H2,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9325 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -4.10356	SlogP: 4.03772	Reactive groups: 0

Topological Properties
Globularity: 0.0295848	Sterimol/B1: 2.97288	Sterimol/B2: 3.34807	Sterimol/B3: 3.36874
Sterimol/B4: 4.5812	Sterimol/L: 18.8611

Surface and Volume Properties
Accessible surface: 543.918	Positive charged surface: 349.599	Negative charged surface: 194.319	Volume: 272.125
Hydrophobic surface: 452.807	Hydrophilic surface: 91.111

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.