MMsINC Database Search


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MMsINC code: MMs03293432

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)n1c2CCCCc2c2c1cccc2

InChI:

InChI=1/C20H19NO2/c1-23-15-12-10-14(11-13-15)20(22)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2,4,6,8,10-13H,3,5,7,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1833 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -4.86319	SlogP: 4.21714	Reactive groups: 0

Topological Properties
Globularity: 0.18746	Sterimol/B1: 1.969	Sterimol/B2: 5.37327	Sterimol/B3: 6.56202
Sterimol/B4: 6.61195	Sterimol/L: 13.9709

Surface and Volume Properties
Accessible surface: 550.174	Positive charged surface: 365.639	Negative charged surface: 179.068	Volume: 303.25
Hydrophobic surface: 509.547	Hydrophilic surface: 40.627

Pharmacophoric Properties
Hydrogen bond donors: 0	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.