MMsINC Database Search


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MMsINC code: MMs02913853

Type: Neutral
Formula: C₁₇H₂₀Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)N(CCC)CCC

InChI:

InChI=1/C17H20Cl2N2O2/c1-4-9-21(10-5-2)17(22)14-11(3)23-20-16(14)15-12(18)7-6-8-13(15)19/h6-8H,4-5,9-10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.0221 kcal/mol

Physical Properties
Molecular Weight: 355.265 g/mol	logS: -5.30648	SlogP: 5.21902	Reactive groups: 0

Topological Properties
Globularity: 0.372669	Sterimol/B1: 2.12168	Sterimol/B2: 4.76315	Sterimol/B3: 5.35494
Sterimol/B4: 8.63131	Sterimol/L: 13.4892

Surface and Volume Properties
Accessible surface: 546.994	Positive charged surface: 290.74	Negative charged surface: 256.255	Volume: 326
Hydrophobic surface: 472.817	Hydrophilic surface: 74.177

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

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Ions/Tautomers related molecules: no related molecules available.