MMsINC Database Search


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MMsINC code: MMs01391172

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₃

SMILES:

Clc1ccccc1C1(NC(=O)N(CCOc2ccccc2Cl)C1=O)C

InChI:

InChI=1/C18H16Cl2N2O3/c1-18(12-6-2-3-7-13(12)19)16(23)22(17(24)21-18)10-11-25-15-9-5-4-8-14(15)20/h2-9H,10-11H2,1H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2573 kcal/mol

Physical Properties
Molecular Weight: 379.243 g/mol	logS: -5.4429	SlogP: 4.1509	Reactive groups: 0

Topological Properties
Globularity: 0.0953305	Sterimol/B1: 2.02558	Sterimol/B2: 4.49151	Sterimol/B3: 4.85711
Sterimol/B4: 6.39186	Sterimol/L: 17.3071

Surface and Volume Properties
Accessible surface: 577.751	Positive charged surface: 290.209	Negative charged surface: 287.542	Volume: 327.75
Hydrophobic surface: 500.719	Hydrophilic surface: 77.032

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