MMsINC Database Search


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MMsINC code: MMs03001298

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(N(CC)c1ccccc1)c1ccc(NC(=O)CCCC)cc1

InChI:

InChI=1/C20H24N2O2/c1-3-5-11-19(23)21-17-14-12-16(13-15-17)20(24)22(4-2)18-9-7-6-8-10-18/h6-10,12-15H,3-5,11H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=160.28 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -5.01775	SlogP: 4.482	Reactive groups: 0

Topological Properties
Globularity: 0.0222934	Sterimol/B1: 2.55737	Sterimol/B2: 2.97463	Sterimol/B3: 4.15761
Sterimol/B4: 6.57307	Sterimol/L: 20.6238

Surface and Volume Properties
Accessible surface: 612.421	Positive charged surface: 396.192	Negative charged surface: 216.23	Volume: 330.125
Hydrophobic surface: 502.864	Hydrophilic surface: 109.557

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.