MMsINC Database Search


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MMsINC code: MMs02739148

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1C(Nc1cc2CCCc2cc1C(=O)C)C(=O)N

InChI:

InChI=1/C19H18Cl2N2O2/c1-10(24)13-8-11-4-2-5-12(11)9-16(13)23-18(19(22)25)17-14(20)6-3-7-15(17)21/h3,6-9,18,23H,2,4-5H2,1H3,(H2,22,25)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.662 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -6.36967	SlogP: 4.41864	Reactive groups: 0

Topological Properties
Globularity: 0.0857022	Sterimol/B1: 2.32633	Sterimol/B2: 3.97355	Sterimol/B3: 4.28978
Sterimol/B4: 8.59725	Sterimol/L: 15.2393

Surface and Volume Properties
Accessible surface: 583.762	Positive charged surface: 312.771	Negative charged surface: 270.991	Volume: 334.25
Hydrophobic surface: 485.134	Hydrophilic surface: 98.628

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.