MMsINC Database Search


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MMsINC code: MMs00689608

Type: Neutral
Formula: C₁₉H₂₁ClN₂O₃

SMILES:

Clc1ccccc1OCC(=O)Nc1cc(ccc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C19H21ClN2O3/c1-19(2,3)22-18(24)13-7-6-8-14(11-13)21-17(23)12-25-16-10-5-4-9-15(16)20/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.04 kcal/mol

Physical Properties
Molecular Weight: 360.841 g/mol	logS: -5.29374	SlogP: 3.8858	Reactive groups: 0

Topological Properties
Globularity: 0.0275395	Sterimol/B1: 2.21503	Sterimol/B2: 3.49544	Sterimol/B3: 4.96564
Sterimol/B4: 7.63491	Sterimol/L: 19.2612

Surface and Volume Properties
Accessible surface: 646.709	Positive charged surface: 361.078	Negative charged surface: 285.631	Volume: 340.875
Hydrophobic surface: 520.591	Hydrophilic surface: 126.118

Pharmacophoric Properties
Hydrogen bond donors: 2	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.