MMsINC Database Search


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MMsINC code: MMs02931576

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(CCC)c1cc(ccc1)C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H19NO2/c1-2-12-23-19-9-5-8-17(14-19)20(22)21-18-11-10-15-6-3-4-7-16(15)13-18/h3-11,13-14H,2,12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.576 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -5.81211	SlogP: 4.8809	Reactive groups: 0

Topological Properties
Globularity: 0.0127748	Sterimol/B1: 2.77987	Sterimol/B2: 2.92417	Sterimol/B3: 3.76195
Sterimol/B4: 5.85952	Sterimol/L: 19.8879

Surface and Volume Properties
Accessible surface: 593.178	Positive charged surface: 347.631	Negative charged surface: 235.31	Volume: 310.25
Hydrophobic surface: 525.903	Hydrophilic surface: 67.275

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.