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MMsINC code: MMs03160176

Type: Neutral
Formula: C₂₁H₂₂N₂O₂

SMILES:

O(c1cc2cc([nH]c2cc1)C(=O)N1CCCCCC1)c1ccccc1

InChI:

InChI=1/C21H22N2O2/c24-21(23-12-6-1-2-7-13-23)20-15-16-14-18(10-11-19(16)22-20)25-17-8-4-3-5-9-17/h3-5,8-11,14-15,22H,1-2,6-7,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.82 kcal/mol

Physical Properties
Molecular Weight: 334.419 g/mol	logS: -4.60647	SlogP: 4.9764	Reactive groups: 0

Topological Properties
Globularity: 0.0823717	Sterimol/B1: 2.43322	Sterimol/B2: 3.73522	Sterimol/B3: 4.51608
Sterimol/B4: 5.79015	Sterimol/L: 17.4666

Surface and Volume Properties
Accessible surface: 598.825	Positive charged surface: 372.584	Negative charged surface: 220.768	Volume: 331.5
Hydrophobic surface: 557.218	Hydrophilic surface: 41.607

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.