MMsINC Database Search


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MMsINC code: MMs01975436

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cc(cc(C)c1NC(=O)Nc1cc(Cl)ccc1)C

InChI:

InChI=1/C15H14Cl2N2O/c1-9-6-10(2)14(13(17)7-9)19-15(20)18-12-5-3-4-11(16)8-12/h3-8H,1-2H3,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3547 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -5.35502	SlogP: 5.25424	Reactive groups: 0

Topological Properties
Globularity: 0.056602	Sterimol/B1: 2.46011	Sterimol/B2: 3.52854	Sterimol/B3: 3.65326
Sterimol/B4: 6.21462	Sterimol/L: 16.6847

Surface and Volume Properties
Accessible surface: 527.876	Positive charged surface: 256.816	Negative charged surface: 271.06	Volume: 276.125
Hydrophobic surface: 485.211	Hydrophilic surface: 42.665

Pharmacophoric Properties
Hydrogen bond donors: 2	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.