MMsINC Database Search


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MMsINC code: MMs01609815

Type: Neutral
Formula: C₁₉H₂₀ClN₃O₂

SMILES:

Clc1ccccc1C(=O)NCC(=O)N1CCN(CC1)c1ccccc1

InChI:

InChI=1/C19H20ClN3O2/c20-17-9-5-4-8-16(17)19(25)21-14-18(24)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.565 kcal/mol

Physical Properties
Molecular Weight: 357.841 g/mol	logS: -4.20247	SlogP: 2.4186	Reactive groups: 0

Topological Properties
Globularity: 0.0388366	Sterimol/B1: 2.20541	Sterimol/B2: 4.35576	Sterimol/B3: 4.74082
Sterimol/B4: 5.16465	Sterimol/L: 19.7523

Surface and Volume Properties
Accessible surface: 611.022	Positive charged surface: 354.778	Negative charged surface: 256.244	Volume: 333.625
Hydrophobic surface: 532.107	Hydrophilic surface: 78.915

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

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Ions/Tautomers related molecules: no related molecules available.