MMsINC Database Search


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MMsINC code: MMs00275515

Type: Neutral
Formula: C₁₁H₁₂ClNO₂

SMILES:

Clc1ccc(cc1)C(=O)N1CCCOC1

InChI:

InChI=1/C11H12ClNO2/c12-10-4-2-9(3-5-10)11(14)13-6-1-7-15-8-13/h2-5H,1,6-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8461 kcal/mol

Physical Properties
Molecular Weight: 225.675 g/mol	logS: -2.35806	SlogP: 2.16	Reactive groups: 0

Topological Properties
Globularity: 0.109698	Sterimol/B1: 2.80075	Sterimol/B2: 3.0593	Sterimol/B3: 3.68109
Sterimol/B4: 4.95966	Sterimol/L: 13.0658

Surface and Volume Properties
Accessible surface: 416.718	Positive charged surface: 240.358	Negative charged surface: 176.36	Volume: 205.375
Hydrophobic surface: 353.08	Hydrophilic surface: 63.638

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.