MMsINC Database Search


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MMsINC code: MMs01462102

Type: Neutral
Formula: C₁₆H₁₆ClNO

SMILES:

Clc1ccccc1CC(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C16H16ClNO/c1-2-12-6-5-8-14(10-12)18-16(19)11-13-7-3-4-9-15(13)17/h3-10H,2,11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2558 kcal/mol

Physical Properties
Molecular Weight: 273.763 g/mol	logS: -5.13977	SlogP: 4.08354	Reactive groups: 0

Topological Properties
Globularity: 0.0553247	Sterimol/B1: 3.14198	Sterimol/B2: 3.8393	Sterimol/B3: 4.0111
Sterimol/B4: 5.26204	Sterimol/L: 16.4405

Surface and Volume Properties
Accessible surface: 513.864	Positive charged surface: 288.884	Negative charged surface: 224.98	Volume: 267.5
Hydrophobic surface: 454.593	Hydrophilic surface: 59.271

Pharmacophoric Properties
Hydrogen bond donors: 1	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.