MMsINC Database Search


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MMsINC code: MMs00963207

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₂

SMILES:

Clc1ccccc1CN1c2c(cccc2)C(=O)N(C2CCCC2)C1=O

InChI:

InChI=1/C20H19ClN2O2/c21-17-11-5-1-7-14(17)13-22-18-12-6-4-10-16(18)19(24)23(20(22)25)15-8-2-3-9-15/h1,4-7,10-12,15H,2-3,8-9,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.767 kcal/mol

Physical Properties
Molecular Weight: 354.837 g/mol	logS: -5.18403	SlogP: 5.1314	Reactive groups: 0

Topological Properties
Globularity: 0.126864	Sterimol/B1: 2.73889	Sterimol/B2: 4.64658	Sterimol/B3: 4.78546
Sterimol/B4: 7.08812	Sterimol/L: 14.0819

Surface and Volume Properties
Accessible surface: 550.769	Positive charged surface: 326.326	Negative charged surface: 224.442	Volume: 325.5
Hydrophobic surface: 516.433	Hydrophilic surface: 34.336

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.