MMsINC Database Search


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MMsINC code: MMs02997860

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(NCc1ccccc1)c1ccc(NC(=O)CCCCC)cc1

InChI:

InChI=1/C20H24N2O2/c1-2-3-5-10-19(23)22-18-13-11-17(12-14-18)20(24)21-15-16-8-6-4-7-9-16/h4,6-9,11-14H,2-3,5,10,15H2,1H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.8488 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -5.25579	SlogP: 4.4018	Reactive groups: 0

Topological Properties
Globularity: 0.0263027	Sterimol/B1: 3.61152	Sterimol/B2: 3.62603	Sterimol/B3: 3.85439
Sterimol/B4: 7.51579	Sterimol/L: 19.7044

Surface and Volume Properties
Accessible surface: 660.794	Positive charged surface: 430.123	Negative charged surface: 230.671	Volume: 334.5
Hydrophobic surface: 546.104	Hydrophilic surface: 114.69

Pharmacophoric Properties
Hydrogen bond donors: 2	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.