MMsINC Database Search


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MMsINC code: MMs00683437

Type: Neutral
Formula: C₁₉H₂₀Cl₂N₂O

SMILES:

Clc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1N1CCCCC1

InChI:

InChI=1/C19H20Cl2N2O/c20-15-6-4-14(5-7-15)12-19(24)22-16-8-9-18(17(21)13-16)23-10-2-1-3-11-23/h4-9,13H,1-3,10-12H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.41 kcal/mol

Physical Properties
Molecular Weight: 363.288 g/mol	logS: -5.56648	SlogP: 5.16487	Reactive groups: 0

Topological Properties
Globularity: 0.0636545	Sterimol/B1: 2.55447	Sterimol/B2: 4.84274	Sterimol/B3: 5.17692
Sterimol/B4: 5.22166	Sterimol/L: 18.1936

Surface and Volume Properties
Accessible surface: 620.801	Positive charged surface: 356.509	Negative charged surface: 264.292	Volume: 336.5
Hydrophobic surface: 572.871	Hydrophilic surface: 47.93

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.