MMsINC Database Search


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MMsINC code: MMs01375934

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₃

SMILES:

Clc1ccc(cc1)CNC(=O)CN(C(=O)c1oc2c(c1)cccc2)CC

InChI:

InChI=1/C20H19ClN2O3/c1-2-23(13-19(24)22-12-14-7-9-16(21)10-8-14)20(25)18-11-15-5-3-4-6-17(15)26-18/h3-11H,2,12-13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.8041 kcal/mol

Physical Properties
Molecular Weight: 370.836 g/mol	logS: -6.02524	SlogP: 4.1311	Reactive groups: 0

Topological Properties
Globularity: 0.065986	Sterimol/B1: 2.28749	Sterimol/B2: 2.49614	Sterimol/B3: 4.4094
Sterimol/B4: 11.3152	Sterimol/L: 15.7228

Surface and Volume Properties
Accessible surface: 619.06	Positive charged surface: 333.858	Negative charged surface: 280.052	Volume: 344
Hydrophobic surface: 523.193	Hydrophilic surface: 95.867

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.