MMsINC Database Search


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MMsINC code: MMs00805330

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₂

SMILES:

Clc1cccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)c1C

InChI:

InChI=1/C16H14Cl2N2O2/c1-10-13(18)3-2-4-14(10)20-15(21)9-19-16(22)11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5132 kcal/mol

Physical Properties
Molecular Weight: 337.206 g/mol	logS: -5.15649	SlogP: 3.67032	Reactive groups: 0

Topological Properties
Globularity: 0.0178238	Sterimol/B1: 2.23456	Sterimol/B2: 2.54268	Sterimol/B3: 3.51232
Sterimol/B4: 6.66421	Sterimol/L: 18.8568

Surface and Volume Properties
Accessible surface: 567.793	Positive charged surface: 257.938	Negative charged surface: 309.855	Volume: 296.375
Hydrophobic surface: 485.674	Hydrophilic surface: 82.119

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.