MMsINC Database Search


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MMsINC code: MMs02325282

Type: Neutral
Formula: C₁₅H₁₅ClO

SMILES:

Clc1cc(Cc2cc(C)c(cc2)C)c(O)cc1

InChI:

InChI=1/C15H15ClO/c1-10-3-4-12(7-11(10)2)8-13-9-14(16)5-6-15(13)17/h3-7,9,17H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6581 kcal/mol

Physical Properties
Molecular Weight: 246.737 g/mol	logS: -4.50799	SlogP: 4.25321	Reactive groups: 0

Topological Properties
Globularity: 0.133791	Sterimol/B1: 2.70722	Sterimol/B2: 3.70435	Sterimol/B3: 4.643
Sterimol/B4: 4.96833	Sterimol/L: 13.0926

Surface and Volume Properties
Accessible surface: 476.442	Positive charged surface: 254.108	Negative charged surface: 222.334	Volume: 243.125
Hydrophobic surface: 441.521	Hydrophilic surface: 34.921

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.