MMsINC Database Search


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MMsINC code: MMs00753803

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(CCCC)c1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4897 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -5.09594	SlogP: 3.69522	Reactive groups: 0

Topological Properties
Globularity: 0.0365764	Sterimol/B1: 3.26007	Sterimol/B2: 3.93721	Sterimol/B3: 4.38636
Sterimol/B4: 4.91588	Sterimol/L: 22.2241

Surface and Volume Properties
Accessible surface: 669.24	Positive charged surface: 423.944	Negative charged surface: 245.296	Volume: 345.5
Hydrophobic surface: 543.701	Hydrophilic surface: 125.539

Pharmacophoric Properties
Hydrogen bond donors: 2	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.