MMsINC Database Search


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MMsINC code: MMs00611121

Type: Neutral
Formula: C₁₄H₁₇Cl₂NO

SMILES:

Clc1cc(ccc1Cl)CNC(=O)C1CCCCC1

InChI:

InChI=1/C14H17Cl2NO/c15-12-7-6-10(8-13(12)16)9-17-14(18)11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.4618 kcal/mol

Physical Properties
Molecular Weight: 286.202 g/mol	logS: -4.85411	SlogP: 4.4563	Reactive groups: 0

Topological Properties
Globularity: 0.0789507	Sterimol/B1: 2.76791	Sterimol/B2: 2.79413	Sterimol/B3: 4.26733
Sterimol/B4: 5.62972	Sterimol/L: 15.554

Surface and Volume Properties
Accessible surface: 512.019	Positive charged surface: 286.718	Negative charged surface: 225.302	Volume: 264
Hydrophobic surface: 469.468	Hydrophilic surface: 42.551

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.