MMsINC Database Search


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MMsINC code: MMs02674311

Type: Neutral
Formula: C₁₀H₁₃ClN₂O

SMILES:

Clc1cccc(NC(=O)N(C)C)c1C

InChI:

InChI=1/C10H13ClN2O/c1-7-8(11)5-4-6-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9952 kcal/mol

Physical Properties
Molecular Weight: 212.68 g/mol	logS: -2.21696	SlogP: 2.74192	Reactive groups: 0

Topological Properties
Globularity: 0.0298254	Sterimol/B1: 1.969	Sterimol/B2: 2.27355	Sterimol/B3: 2.68544
Sterimol/B4: 6.73112	Sterimol/L: 12.7336

Surface and Volume Properties
Accessible surface: 411.344	Positive charged surface: 265.562	Negative charged surface: 145.782	Volume: 201.25
Hydrophobic surface: 382.345	Hydrophilic surface: 28.999

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.