MMsINC Database Search


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MMsINC code: MMs02810002

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C17H12Cl2N2O3/c18-10-5-6-14(13(19)9-10)20-15(22)7-8-21-16(23)11-3-1-2-4-12(11)17(21)24/h1-6,9H,7-8H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.3812 kcal/mol

Physical Properties
Molecular Weight: 363.2 g/mol	logS: -5.28166	SlogP: 3.6182	Reactive groups: 0

Topological Properties
Globularity: 0.0374149	Sterimol/B1: 2.77091	Sterimol/B2: 3.69941	Sterimol/B3: 4.26304
Sterimol/B4: 4.99223	Sterimol/L: 19.2939

Surface and Volume Properties
Accessible surface: 582.899	Positive charged surface: 253.402	Negative charged surface: 329.497	Volume: 306.375
Hydrophobic surface: 471.512	Hydrophilic surface: 111.387

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