MMsINC Database Search


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MMsINC code: MMs02674159

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1NC(=O)NC1CC1

InChI:

InChI=1/C10H10Cl2N2O/c11-7-2-1-3-8(12)9(7)14-10(15)13-6-4-5-6/h1-3,6H,4-5H2,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5215 kcal/mol

Physical Properties
Molecular Weight: 245.109 g/mol	logS: -3.44915	SlogP: 3.2773	Reactive groups: 0

Topological Properties
Globularity: 0.0576359	Sterimol/B1: 2.64177	Sterimol/B2: 3.58331	Sterimol/B3: 4.72167
Sterimol/B4: 4.78073	Sterimol/L: 13.2092

Surface and Volume Properties
Accessible surface: 442.957	Positive charged surface: 205.388	Negative charged surface: 237.569	Volume: 210.75
Hydrophobic surface: 346.324	Hydrophilic surface: 96.633

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.