MMsINC Database Search


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MMsINC code: MMs01620888

Type: Neutral
Formula: C₁₇H₁₈N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)N(C)C)c1ccc(cc1)C

InChI:

InChI=1/C17H18N2O2/c1-12-4-6-13(7-5-12)16(20)18-15-10-8-14(9-11-15)17(21)19(2)3/h4-11H,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.449 kcal/mol

Physical Properties
Molecular Weight: 282.343 g/mol	logS: -3.86893	SlogP: 2.94912	Reactive groups: 0

Topological Properties
Globularity: 0.0138592	Sterimol/B1: 2.65948	Sterimol/B2: 2.68711	Sterimol/B3: 3.68892
Sterimol/B4: 4.58271	Sterimol/L: 18.1852

Surface and Volume Properties
Accessible surface: 538.663	Positive charged surface: 348.079	Negative charged surface: 190.584	Volume: 282.5
Hydrophobic surface: 466.758	Hydrophilic surface: 71.905

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.