MMsINC Database Search


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MMsINC code: MMs02765038

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₄

SMILES:

Clc1cc(Cl)ccc1C(=O)NCC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C17H14Cl2N2O4/c1-25-17(24)12-4-2-3-5-14(12)21-15(22)9-20-16(23)11-7-6-10(18)8-13(11)19/h2-8H,9H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.8348 kcal/mol

Physical Properties
Molecular Weight: 381.215 g/mol	logS: -5.37775	SlogP: 3.1485	Reactive groups: 0

Topological Properties
Globularity: 0.0263695	Sterimol/B1: 2.05006	Sterimol/B2: 2.39901	Sterimol/B3: 4.11492
Sterimol/B4: 8.43196	Sterimol/L: 18.6403

Surface and Volume Properties
Accessible surface: 623.559	Positive charged surface: 326.454	Negative charged surface: 297.105	Volume: 319.875
Hydrophobic surface: 519.01	Hydrophilic surface: 104.549

Pharmacophoric Properties
Hydrogen bond donors: 2	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.