MMsINC Database Search


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MMsINC code: MMs00261571

Type: Neutral
Formula: C₁₉H₂₄ClNO₂

SMILES:

ClC=1c2c(OC(=O)C=1C1CCCCC1)cc(N(CC)CC)cc2

InChI:

InChI=1/C19H24ClNO2/c1-3-21(4-2)14-10-11-15-16(12-14)23-19(22)17(18(15)20)13-8-6-5-7-9-13/h10-13H,3-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5469 kcal/mol

Physical Properties
Molecular Weight: 333.859 g/mol	logS: -6.67467	SlogP: 4.982	Reactive groups: 0

Topological Properties
Globularity: 0.0512533	Sterimol/B1: 2.80073	Sterimol/B2: 2.93007	Sterimol/B3: 4.36478
Sterimol/B4: 6.62019	Sterimol/L: 16.7725

Surface and Volume Properties
Accessible surface: 565.805	Positive charged surface: 373.937	Negative charged surface: 191.868	Volume: 324.75
Hydrophobic surface: 465.422	Hydrophilic surface: 100.383

Pharmacophoric Properties
Hydrogen bond donors: 0	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.