MMsINC Database Search


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MMsINC code: MMs01396453

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1C1(NC(=O)N(Cc2cc(Cl)ccc2)C1=O)C

InChI:

InChI=1/C17H14Cl2N2O2/c1-17(13-7-2-3-8-14(13)19)15(22)21(16(23)20-17)10-11-5-4-6-12(18)9-11/h2-9H,10H2,1H3,(H,20,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4778 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -5.36608	SlogP: 4.5385	Reactive groups: 0

Topological Properties
Globularity: 0.105304	Sterimol/B1: 2.22493	Sterimol/B2: 4.47101	Sterimol/B3: 5.2653
Sterimol/B4: 5.86444	Sterimol/L: 15.3826

Surface and Volume Properties
Accessible surface: 537.756	Positive charged surface: 245.217	Negative charged surface: 292.538	Volume: 300.875
Hydrophobic surface: 447.151	Hydrophilic surface: 90.605

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.