MMsINC Database Search


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MMsINC code: MMs02819417

Type: Neutral
Formula: C₁₉H₂₀ClNO₂

SMILES:

Clc1ccc(OCc2n(c3c(cccc3)c2COCC)C)cc1

InChI:

InChI=1/C19H20ClNO2/c1-3-22-12-17-16-6-4-5-7-18(16)21(2)19(17)13-23-15-10-8-14(20)9-11-15/h4-11H,3,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1847 kcal/mol

Physical Properties
Molecular Weight: 329.827 g/mol	logS: -4.71769	SlogP: 5.8392	Reactive groups: 0

Topological Properties
Globularity: 0.109509	Sterimol/B1: 2.43902	Sterimol/B2: 2.50977	Sterimol/B3: 4.83668
Sterimol/B4: 9.95899	Sterimol/L: 16.98

Surface and Volume Properties
Accessible surface: 618.547	Positive charged surface: 359.083	Negative charged surface: 253.981	Volume: 325.5
Hydrophobic surface: 570.953	Hydrophilic surface: 47.594

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.