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MMsINC code: MMs02836447

Type: Neutral
Formula: C₁₉H₁₄Cl₂N₂O₄

SMILES:

ClC1=C(Nc2cc(Cl)ccc2)C(=O)N(C1=O)c1cc(ccc1)C(OCC)=O

InChI:

InChI=1/C19H14Cl2N2O4/c1-2-27-19(26)11-5-3-8-14(9-11)23-17(24)15(21)16(18(23)25)22-13-7-4-6-12(20)10-13/h3-10,22H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.1661 kcal/mol

Physical Properties
Molecular Weight: 405.237 g/mol	logS: -6.45336	SlogP: 4.0613	Reactive groups: 1

Topological Properties
Globularity: 0.0358098	Sterimol/B1: 3.62469	Sterimol/B2: 4.05807	Sterimol/B3: 4.21459
Sterimol/B4: 6.59343	Sterimol/L: 19.7619

Surface and Volume Properties
Accessible surface: 637.266	Positive charged surface: 295.516	Negative charged surface: 341.751	Volume: 343.75
Hydrophobic surface: 503.907	Hydrophilic surface: 133.359

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.