MMsINC Database Search


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MMsINC code: MMs02229854

Type: Neutral
Formula: C₁₄H₁₁Cl₂N₃O₂

SMILES:

Clc1cc(NC(=O)N(Nc2ccccc2)C=O)ccc1Cl

InChI:

InChI=1/C14H11Cl2N3O2/c15-12-7-6-11(8-13(12)16)17-14(21)19(9-20)18-10-4-2-1-3-5-10/h1-9,18H,(H,17,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5667 kcal/mol

Physical Properties
Molecular Weight: 324.167 g/mol	logS: -4.59552	SlogP: 4.0108	Reactive groups: 0

Topological Properties
Globularity: 0.0907679	Sterimol/B1: 3.30132	Sterimol/B2: 4.1565	Sterimol/B3: 4.5678
Sterimol/B4: 6.81214	Sterimol/L: 15.2604

Surface and Volume Properties
Accessible surface: 527.908	Positive charged surface: 229.884	Negative charged surface: 298.024	Volume: 270.875
Hydrophobic surface: 428.739	Hydrophilic surface: 99.169

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