MMsINC Database Search


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MMsINC code: MMs00722968

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1cc(N2CCN(CC2)C(=O)COc2ccccc2OC)ccc1

InChI:

InChI=1/C19H21ClN2O3/c1-24-17-7-2-3-8-18(17)25-14-19(23)22-11-9-21(10-12-22)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.22 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -4.1571	SlogP: 3.0762	Reactive groups: 0

Topological Properties
Globularity: 0.0425025	Sterimol/B1: 2.5743	Sterimol/B2: 3.66488	Sterimol/B3: 4.5423
Sterimol/B4: 7.06636	Sterimol/L: 18.2782

Surface and Volume Properties
Accessible surface: 624.264	Positive charged surface: 392.709	Negative charged surface: 231.555	Volume: 338.125
Hydrophobic surface: 561.921	Hydrophilic surface: 62.343

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.