MMsINC Database Search


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MMsINC code: MMs02572673

Type: Neutral
Formula: C₁₅H₁₃ClO₂

SMILES:

Clc1ccccc1COC(=O)c1cc(ccc1)C

InChI:

InChI=1/C15H13ClO2/c1-11-5-4-7-12(9-11)15(17)18-10-13-6-2-3-8-14(13)16/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9656 kcal/mol

Physical Properties
Molecular Weight: 260.72 g/mol	logS: -4.74272	SlogP: 4.27182	Reactive groups: 0

Topological Properties
Globularity: 0.00662521	Sterimol/B1: 2.37534	Sterimol/B2: 2.51239	Sterimol/B3: 4.20185
Sterimol/B4: 5.20342	Sterimol/L: 15.6453

Surface and Volume Properties
Accessible surface: 489.532	Positive charged surface: 236.434	Negative charged surface: 253.098	Volume: 250.75
Hydrophobic surface: 448.675	Hydrophilic surface: 40.857

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.