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MMsINC code: MMs02837191

Type: Neutral
Formula: C₁₈H₁₂Cl₂N₂O₄

SMILES:

ClC1=C(Nc2ccc(cc2)C(OC)=O)C(=O)N(C1=O)c1ccc(Cl)cc1

InChI:

InChI=1/C18H12Cl2N2O4/c1-26-18(25)10-2-6-12(7-3-10)21-15-14(20)16(23)22(17(15)24)13-8-4-11(19)5-9-13/h2-9,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.64 kcal/mol

Physical Properties
Molecular Weight: 391.21 g/mol	logS: -6.12615	SlogP: 3.6712	Reactive groups: 1

Topological Properties
Globularity: 0.0413222	Sterimol/B1: 2.96403	Sterimol/B2: 3.3869	Sterimol/B3: 3.78742
Sterimol/B4: 7.99007	Sterimol/L: 18.4549

Surface and Volume Properties
Accessible surface: 612.753	Positive charged surface: 286.807	Negative charged surface: 325.946	Volume: 325.875
Hydrophobic surface: 496.944	Hydrophilic surface: 115.809

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.