MMsINC Database Search


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MMsINC code: MMs00624989

Type: Neutral
Formula: C₁₈H₂₆ClNO₂

SMILES:

Clc1ccc(OC(C(=O)N(CC)C2CCCCC2)(C)C)cc1

InChI:

InChI=1/C18H26ClNO2/c1-4-20(15-8-6-5-7-9-15)17(21)18(2,3)22-16-12-10-14(19)11-13-16/h10-13,15H,4-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.65 kcal/mol

Physical Properties
Molecular Weight: 323.864 g/mol	logS: -4.6889	SlogP: 4.6786	Reactive groups: 0

Topological Properties
Globularity: 0.156822	Sterimol/B1: 2.45254	Sterimol/B2: 3.36854	Sterimol/B3: 4.84181
Sterimol/B4: 7.73977	Sterimol/L: 15.0627

Surface and Volume Properties
Accessible surface: 539.395	Positive charged surface: 320.174	Negative charged surface: 219.221	Volume: 319.5
Hydrophobic surface: 471.332	Hydrophilic surface: 68.063

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.