MMsINC Database Search


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MMsINC code: MMs01463653

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C(=O)C(NC(=O)c1ccccc1)C)CC(=O)NCc1ccccc1

InChI:

InChI=1/C19H20N2O4/c1-14(21-18(23)16-10-6-3-7-11-16)19(24)25-13-17(22)20-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0304 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.20686	SlogP: 1.9309	Reactive groups: 0

Topological Properties
Globularity: 0.0301768	Sterimol/B1: 2.12276	Sterimol/B2: 2.57261	Sterimol/B3: 4.77764
Sterimol/B4: 6.83261	Sterimol/L: 21.3697

Surface and Volume Properties
Accessible surface: 646.928	Positive charged surface: 376.342	Negative charged surface: 270.586	Volume: 329.375
Hydrophobic surface: 502.244	Hydrophilic surface: 144.684

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.