MMsINC Database Search


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MMsINC code: MMs02215987

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(C)c1ccc(NC(=O)Nc2cc(ccc2C)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.413 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -3.93682	SlogP: 3.95604	Reactive groups: 0

Topological Properties
Globularity: 0.0350537	Sterimol/B1: 1.98733	Sterimol/B2: 2.60499	Sterimol/B3: 4.02674
Sterimol/B4: 7.70759	Sterimol/L: 16.6737

Surface and Volume Properties
Accessible surface: 528.883	Positive charged surface: 353.95	Negative charged surface: 174.933	Volume: 272.875
Hydrophobic surface: 469.556	Hydrophilic surface: 59.327

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.