MMsINC Database Search


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MMsINC code: MMs00782870

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂

SMILES:

Clc1cc(ccc1Cl)Cn1c2cc(C)c(cc2nc1)C

InChI:

InChI=1/C16H14Cl2N2/c1-10-5-15-16(6-11(10)2)20(9-19-15)8-12-3-4-13(17)14(18)7-12/h3-7,9H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1509 kcal/mol

Physical Properties
Molecular Weight: 305.208 g/mol	logS: -5.88291	SlogP: 5.27464	Reactive groups: 0

Topological Properties
Globularity: 0.110558	Sterimol/B1: 3.1903	Sterimol/B2: 4.67881	Sterimol/B3: 5.07026
Sterimol/B4: 5.65305	Sterimol/L: 13.8088

Surface and Volume Properties
Accessible surface: 513.683	Positive charged surface: 248.946	Negative charged surface: 264.737	Volume: 279.75
Hydrophobic surface: 473.727	Hydrophilic surface: 39.956

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.