MMsINC Database Search


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MMsINC code: MMs00427879

Type: Neutral
Formula: C₁₅H₁₈Cl₂N₂O₂

SMILES:

Clc1c(NC(=O)C2CC(=O)N(C2)C(C)(C)C)cccc1Cl

InChI:

InChI=1/C15H18Cl2N2O2/c1-15(2,3)19-8-9(7-12(19)20)14(21)18-11-6-4-5-10(16)13(11)17/h4-6,9H,7-8H2,1-3H3,(H,18,21)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6882 kcal/mol

Physical Properties
Molecular Weight: 329.227 g/mol	logS: -3.891	SlogP: 3.5789	Reactive groups: 0

Topological Properties
Globularity: 0.0516529	Sterimol/B1: 2.22319	Sterimol/B2: 3.45748	Sterimol/B3: 4.85776
Sterimol/B4: 5.59707	Sterimol/L: 16.479

Surface and Volume Properties
Accessible surface: 540.282	Positive charged surface: 284.155	Negative charged surface: 256.128	Volume: 294.625
Hydrophobic surface: 432.641	Hydrophilic surface: 107.641

Pharmacophoric Properties
Hydrogen bond donors: 1	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.