MMsINC Database Search


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MMsINC code: MMs01367666

Type: Neutral
Formula: C₂₁H₁₄Cl₂O₃

SMILES:

Clc1cc(Cl)ccc1COC(=O)c1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C21H14Cl2O3/c22-16-11-10-15(19(23)12-16)13-26-21(25)18-9-5-4-8-17(18)20(24)14-6-2-1-3-7-14/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6813 kcal/mol

Physical Properties
Molecular Weight: 385.246 g/mol	logS: -7.0759	SlogP: 5.8478	Reactive groups: 0

Topological Properties
Globularity: 0.0882779	Sterimol/B1: 2.39636	Sterimol/B2: 2.99116	Sterimol/B3: 5.46079
Sterimol/B4: 9.24852	Sterimol/L: 15.8931

Surface and Volume Properties
Accessible surface: 619.075	Positive charged surface: 256.869	Negative charged surface: 362.207	Volume: 341.875
Hydrophobic surface: 567.573	Hydrophilic surface: 51.502

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.