MMsINC Database Search


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MMsINC code: MMs01413716

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₄

SMILES:

Clc1cc(Cl)cnc1NC(=O)C(OC(=O)\C=C\c1ccc(OC)cc1)C

InChI:

InChI=1/C18H16Cl2N2O4/c1-11(18(24)22-17-15(20)9-13(19)10-21-17)26-16(23)8-5-12-3-6-14(25-2)7-4-12/h3-11H,1-2H3,(H,21,22,24)/b8-5+/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.083 kcal/mol

Physical Properties
Molecular Weight: 395.242 g/mol	logS: -5.16815	SlogP: 3.9806	Reactive groups: 0

Topological Properties
Globularity: 0.0214769	Sterimol/B1: 2.23869	Sterimol/B2: 2.36342	Sterimol/B3: 4.56282
Sterimol/B4: 7.67829	Sterimol/L: 20.9478

Surface and Volume Properties
Accessible surface: 667.951	Positive charged surface: 342.371	Negative charged surface: 325.58	Volume: 341.875
Hydrophobic surface: 550.956	Hydrophilic surface: 116.995

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.