MMsINC Database Search


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MMsINC code: MMs02631220

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂

SMILES:

Clc1cc(\N=C\c2ccc(N(C)C)cc2)cc(Cl)c1

InChI:

InChI=1/C15H14Cl2N2/c1-19(2)15-5-3-11(4-6-15)10-18-14-8-12(16)7-13(17)9-14/h3-10H,1-2H3/b18-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.6741 kcal/mol

Physical Properties
Molecular Weight: 293.197 g/mol	logS: -4.70561	SlogP: 4.81	Reactive groups: 0

Topological Properties
Globularity: 0.0231445	Sterimol/B1: 2.9922	Sterimol/B2: 3.47154	Sterimol/B3: 3.64278
Sterimol/B4: 5.35673	Sterimol/L: 16.4493

Surface and Volume Properties
Accessible surface: 535.044	Positive charged surface: 286.848	Negative charged surface: 248.195	Volume: 272.5
Hydrophobic surface: 518.962	Hydrophilic surface: 16.082

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.