MMsINC Database Search


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MMsINC code: MMs03435133

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccc(Oc2cccnc2)cc1

InChI:

InChI=1/C18H12Cl2N2O2/c19-12-3-8-16(17(20)10-12)18(23)22-13-4-6-14(7-5-13)24-15-2-1-9-21-11-15/h1-11H,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.922 kcal/mol

Physical Properties
Molecular Weight: 359.212 g/mol	logS: -5.34802	SlogP: 5.433	Reactive groups: 0

Topological Properties
Globularity: 0.0651124	Sterimol/B1: 2.35197	Sterimol/B2: 3.66388	Sterimol/B3: 4.9433
Sterimol/B4: 5.61658	Sterimol/L: 18.818

Surface and Volume Properties
Accessible surface: 582.859	Positive charged surface: 292.621	Negative charged surface: 290.239	Volume: 311.125
Hydrophobic surface: 538.964	Hydrophilic surface: 43.895

Pharmacophoric Properties
Hydrogen bond donors: 1	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.