MMsINC Database Search


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MMsINC code: MMs00628555

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(N(CC)CC)c1ccc(NC(=O)CCc2ccccc2)cc1

InChI:

InChI=1/C20H24N2O2/c1-3-22(4-2)20(24)17-11-13-18(14-12-17)21-19(23)15-10-16-8-6-5-7-9-16/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.193 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -3.99282	SlogP: 3.73987	Reactive groups: 0

Topological Properties
Globularity: 0.0361121	Sterimol/B1: 2.37248	Sterimol/B2: 2.68376	Sterimol/B3: 4.5357
Sterimol/B4: 5.89359	Sterimol/L: 20.4451

Surface and Volume Properties
Accessible surface: 619.799	Positive charged surface: 396.094	Negative charged surface: 223.706	Volume: 335.75
Hydrophobic surface: 507.869	Hydrophilic surface: 111.93

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.