MMsINC Database Search


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MMsINC code: MMs00558542

Type: Neutral
Formula: C₁₇H₁₂Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1NC(=O)CCN1C(=O)c2c(cccc2)C1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8157 kcal/mol

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

Topological Properties
Globularity: 0.0238439	Sterimol/B1: 2.6506	Sterimol/B2: 3.56365	Sterimol/B3: 4.1578
Sterimol/B4: 5.33804	Sterimol/L: 18.0982

Surface and Volume Properties
Accessible surface: 573.712	Positive charged surface: 256.365	Negative charged surface: 317.347	Volume: 306.25
Hydrophobic surface: 464.303	Hydrophilic surface: 109.409

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.