MMsINC Database Search


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MMsINC code: MMs00873953

Type: Neutral
Formula: C₂₀H₁₅Cl₂NO

SMILES:

Clc1ccc(cc1)C1OC(c2cc(Cl)ccc2N1)c1ccccc1

InChI:

InChI=1/C20H15Cl2NO/c21-15-8-6-14(7-9-15)20-23-18-11-10-16(22)12-17(18)19(24-20)13-4-2-1-3-5-13/h1-12,19-20,23H/t19-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.0769 kcal/mol

Physical Properties
Molecular Weight: 356.252 g/mol	logS: -6.33149	SlogP: 6.4147	Reactive groups: 0

Topological Properties
Globularity: 0.13312	Sterimol/B1: 2.1893	Sterimol/B2: 3.20099	Sterimol/B3: 4.57739
Sterimol/B4: 9.21504	Sterimol/L: 15.5245

Surface and Volume Properties
Accessible surface: 589.262	Positive charged surface: 255.534	Negative charged surface: 333.728	Volume: 324.875
Hydrophobic surface: 573.353	Hydrophilic surface: 15.909

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.