MMsINC Database Search


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MMsINC code: MMs02869014

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(Nc1ccc(cc1C)C)c1ccc(NC(=O)CCCC)cc1

InChI:

InChI=1/C20H24N2O2/c1-4-5-6-19(23)21-17-10-8-16(9-11-17)20(24)22-18-12-7-14(2)13-15(18)3/h7-13H,4-6H2,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9197 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -5.43092	SlogP: 4.68444	Reactive groups: 0

Topological Properties
Globularity: 0.0181437	Sterimol/B1: 2.55918	Sterimol/B2: 2.80323	Sterimol/B3: 3.97994
Sterimol/B4: 6.80158	Sterimol/L: 21.4765

Surface and Volume Properties
Accessible surface: 643.45	Positive charged surface: 413.604	Negative charged surface: 229.846	Volume: 334.125
Hydrophobic surface: 545.439	Hydrophilic surface: 98.011

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.