MMsINC Database Search


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MMsINC code: MMs02685784

Type: Neutral
Formula: C₂₁H₁₉NO₂

SMILES:

O(CC)c1cc(ccc1)C(=O)Nc1ccccc1-c1ccccc1

InChI:

InChI=1/C21H19NO2/c1-2-24-18-12-8-11-17(15-18)21(23)22-20-14-7-6-13-19(20)16-9-4-3-5-10-16/h3-15H,2H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.9613 kcal/mol

Physical Properties
Molecular Weight: 317.388 g/mol	logS: -6.15884	SlogP: 5.0046	Reactive groups: 0

Topological Properties
Globularity: 0.0293562	Sterimol/B1: 2.94122	Sterimol/B2: 3.37524	Sterimol/B3: 5.61022
Sterimol/B4: 6.48436	Sterimol/L: 16.7858

Surface and Volume Properties
Accessible surface: 585.428	Positive charged surface: 342.447	Negative charged surface: 240.16	Volume: 323.25
Hydrophobic surface: 528.556	Hydrophilic surface: 56.872

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.