MMsINC Database Search


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MMsINC code: MMs00696344

Type: Neutral
Formula: C₁₉H₂₄N₂O₂

SMILES:

O(CCCC(=O)Nc1ccc(N(C)C)cc1)c1cc(ccc1)C

InChI:

InChI=1/C19H24N2O2/c1-15-6-4-7-18(14-15)23-13-5-8-19(22)20-16-9-11-17(12-10-16)21(2)3/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3763 kcal/mol

Physical Properties
Molecular Weight: 312.413 g/mol	logS: -3.91671	SlogP: 3.85872	Reactive groups: 0

Topological Properties
Globularity: 0.0125536	Sterimol/B1: 2.26459	Sterimol/B2: 2.77851	Sterimol/B3: 3.3173
Sterimol/B4: 6.01554	Sterimol/L: 21.4075

Surface and Volume Properties
Accessible surface: 632.665	Positive charged surface: 451.012	Negative charged surface: 181.653	Volume: 325.5
Hydrophobic surface: 582.887	Hydrophilic surface: 49.778

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.