MMsINC Database Search


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MMsINC code: MMs02331164

Type: Neutral
Formula: C₁₇H₁₃Cl₂N

SMILES:

Clc1ccc(cc1)Cc1cc2c(nc(Cl)cc2C)cc1

InChI:

InChI=1/C17H13Cl2N/c1-11-8-17(19)20-16-7-4-13(10-15(11)16)9-12-2-5-14(18)6-3-12/h2-8,10H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5903 kcal/mol

Physical Properties
Molecular Weight: 302.204 g/mol	logS: -6.34356	SlogP: 5.44079	Reactive groups: 0

Topological Properties
Globularity: 0.121823	Sterimol/B1: 2.04993	Sterimol/B2: 3.47809	Sterimol/B3: 4.87667
Sterimol/B4: 7.20766	Sterimol/L: 15.3632

Surface and Volume Properties
Accessible surface: 519.305	Positive charged surface: 221.273	Negative charged surface: 292.722	Volume: 279
Hydrophobic surface: 491.062	Hydrophilic surface: 28.243

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.