MMsINC Database Search


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MMsINC code: MMs01372541

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CC)c1ccccc1C(=O)NCC(=O)N(Cc1ccccc1C)C

InChI:

InChI=1/C20H24N2O3/c1-4-25-18-12-8-7-11-17(18)20(24)21-13-19(23)22(3)14-16-10-6-5-9-15(16)2/h5-12H,4,13-14H2,1-3H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.143 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.217	SlogP: 3.04852	Reactive groups: 0

Topological Properties
Globularity: 0.0678602	Sterimol/B1: 1.969	Sterimol/B2: 3.89653	Sterimol/B3: 4.5583
Sterimol/B4: 8.32451	Sterimol/L: 18.0111

Surface and Volume Properties
Accessible surface: 641.728	Positive charged surface: 421.527	Negative charged surface: 220.201	Volume: 346.375
Hydrophobic surface: 546.085	Hydrophilic surface: 95.643

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.