MMsINC Database Search


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MMsINC code: MMs00116756

Type: Neutral
Formula: C₁₀H₈Cl₂N₂O₃

SMILES:

Clc1cc(N2C(O)C(=O)N(C)C2=O)ccc1Cl

InChI:

InChI=1/C10H8Cl2N2O3/c1-13-8(15)9(16)14(10(13)17)5-2-3-6(11)7(12)4-5/h2-4,9,16H,1H3/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.4845 kcal/mol

Physical Properties
Molecular Weight: 275.091 g/mol	logS: -2.89913	SlogP: 1.7102	Reactive groups: 0

Topological Properties
Globularity: 0.0245609	Sterimol/B1: 2.5894	Sterimol/B2: 2.72546	Sterimol/B3: 2.94402
Sterimol/B4: 5.50595	Sterimol/L: 13.6491

Surface and Volume Properties
Accessible surface: 433.902	Positive charged surface: 202.639	Negative charged surface: 231.264	Volume: 216.625
Hydrophobic surface: 318.377	Hydrophilic surface: 115.525

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.