MMsINC Database Search


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MMsINC code: MMs01462231

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO

SMILES:

Clc1cccc(Cl)c1CC(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C16H15Cl2NO/c1-2-11-5-3-6-12(9-11)19-16(20)10-13-14(17)7-4-8-15(13)18/h3-9H,2,10H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0383 kcal/mol

Physical Properties
Molecular Weight: 308.208 g/mol	logS: -5.87406	SlogP: 4.73694	Reactive groups: 0

Topological Properties
Globularity: 0.064326	Sterimol/B1: 3.86593	Sterimol/B2: 4.02406	Sterimol/B3: 4.23803
Sterimol/B4: 5.22398	Sterimol/L: 16.4403

Surface and Volume Properties
Accessible surface: 531.139	Positive charged surface: 263.374	Negative charged surface: 267.765	Volume: 283.125
Hydrophobic surface: 475.937	Hydrophilic surface: 55.202

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

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Ions/Tautomers related molecules: no related molecules available.