MMsINC Database Search


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MMsINC code: MMs01401701

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1C1(NC(=O)N(Cc2ccccc2Cl)C1=O)C

InChI:

InChI=1/C17H14Cl2N2O2/c1-17(12-7-3-5-9-14(12)19)15(22)21(16(23)20-17)10-11-6-2-4-8-13(11)18/h2-9H,10H2,1H3,(H,20,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.678 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -5.36608	SlogP: 4.5385	Reactive groups: 0

Topological Properties
Globularity: 0.230196	Sterimol/B1: 2.47728	Sterimol/B2: 4.24584	Sterimol/B3: 4.37203
Sterimol/B4: 7.39352	Sterimol/L: 11.8488

Surface and Volume Properties
Accessible surface: 518.004	Positive charged surface: 256.416	Negative charged surface: 261.588	Volume: 301.125
Hydrophobic surface: 431.877	Hydrophilic surface: 86.127

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.