MMsINC Database Search


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MMsINC code: MMs01233415

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O1c2cc(NCc3ccc(N(C)C)cc3)ccc2OC1

InChI:

InChI=1/C16H18N2O2/c1-18(2)14-6-3-12(4-7-14)10-17-13-5-8-15-16(9-13)20-11-19-15/h3-9,17H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.2782 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -2.83175	SlogP: 3.3598	Reactive groups: 0

Topological Properties
Globularity: 0.0583509	Sterimol/B1: 2.44021	Sterimol/B2: 2.92261	Sterimol/B3: 4.06242
Sterimol/B4: 4.83647	Sterimol/L: 17.6319

Surface and Volume Properties
Accessible surface: 527.232	Positive charged surface: 386.994	Negative charged surface: 140.238	Volume: 270.875
Hydrophobic surface: 452.721	Hydrophilic surface: 74.511

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.