MMsINC Database Search


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MMsINC code: MMs00588488

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O

SMILES:

Clc1cc(NC(=O)NC(C)c2ccccc2)ccc1Cl

InChI:

InChI=1/C15H14Cl2N2O/c1-10(11-5-3-2-4-6-11)18-15(20)19-12-7-8-13(16)14(17)9-12/h2-10H,1H3,(H2,18,19,20)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2946 kcal/mol

Physical Properties
Molecular Weight: 309.196 g/mol	logS: -4.99188	SlogP: 4.9716	Reactive groups: 0

Topological Properties
Globularity: 0.0756183	Sterimol/B1: 1.969	Sterimol/B2: 4.39376	Sterimol/B3: 4.43268
Sterimol/B4: 5.45772	Sterimol/L: 17.1097

Surface and Volume Properties
Accessible surface: 540.669	Positive charged surface: 249.468	Negative charged surface: 291.201	Volume: 278.75
Hydrophobic surface: 468.524	Hydrophilic surface: 72.145

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

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.