MMsINC Database Search


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MMsINC code: MMs02698077

Type: Neutral
Formula: C₁₅H₁₄Cl₂O

SMILES:

Clc1cccc(Cl)c1COc1c(cccc1C)C

InChI:

InChI=1/C15H14Cl2O/c1-10-5-3-6-11(2)15(10)18-9-12-13(16)7-4-8-14(12)17/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6457 kcal/mol

Physical Properties
Molecular Weight: 281.182 g/mol	logS: -4.99268	SlogP: 5.45564	Reactive groups: 0

Topological Properties
Globularity: 0.0324087	Sterimol/B1: 2.24304	Sterimol/B2: 2.52595	Sterimol/B3: 3.10146
Sterimol/B4: 7.2579	Sterimol/L: 14.1206

Surface and Volume Properties
Accessible surface: 468.377	Positive charged surface: 227.93	Negative charged surface: 240.448	Volume: 261
Hydrophobic surface: 457.231	Hydrophilic surface: 11.146

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.