MMsINC Database Search


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MMsINC code: MMs00898995

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1CNC1CC(=O)N(C1=O)c1ccc(cc1)C

InChI:

InChI=1/C18H16Cl2N2O2/c1-11-2-6-14(7-3-11)22-17(23)9-16(18(22)24)21-10-12-4-5-13(19)8-15(12)20/h2-8,16,21H,9-10H2,1H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4047 kcal/mol

Physical Properties
Molecular Weight: 363.244 g/mol	logS: -5.37639	SlogP: 3.98992	Reactive groups: 0

Topological Properties
Globularity: 0.0370288	Sterimol/B1: 3.09354	Sterimol/B2: 3.12715	Sterimol/B3: 3.82753
Sterimol/B4: 6.77305	Sterimol/L: 18.225

Surface and Volume Properties
Accessible surface: 592.541	Positive charged surface: 279.557	Negative charged surface: 312.984	Volume: 322.375
Hydrophobic surface: 513.728	Hydrophilic surface: 78.813

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.