MMsINC Database Search


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MMsINC code: MMs00047613

Type: Neutral
Formula: C₁₃H₁₅Cl₄NO

SMILES:

Clc1cccc(C)c1CNC(=O)CC(C(Cl)(Cl)Cl)C

InChI:

InChI=1/C13H15Cl4NO/c1-8-4-3-5-11(14)10(8)7-18-12(19)6-9(2)13(15,16)17/h3-5,9H,6-7H2,1-2H3,(H,18,19)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1063 kcal/mol

Physical Properties
Molecular Weight: 343.081 g/mol	logS: -5.43244	SlogP: 5.34732	Reactive groups: 0

Topological Properties
Globularity: 0.0850635	Sterimol/B1: 2.14885	Sterimol/B2: 2.8105	Sterimol/B3: 4.77129
Sterimol/B4: 7.20355	Sterimol/L: 15.7592

Surface and Volume Properties
Accessible surface: 537.637	Positive charged surface: 203.405	Negative charged surface: 334.231	Volume: 287.625
Hydrophobic surface: 322.988	Hydrophilic surface: 214.649

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

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Ions/Tautomers related molecules: no related molecules available.