MMsINC Database Search


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MMsINC code: MMs02735427

Type: Neutral
Formula: C₂₀H₁₈Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)N(Cc2ccccc2)Cc2oc(cc2)C)ccc1Cl

InChI:

InChI=1/C20H18Cl2N2O2/c1-14-7-9-17(26-14)13-24(12-15-5-3-2-4-6-15)20(25)23-16-8-10-18(21)19(22)11-16/h2-11H,12-13H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6677 kcal/mol

Physical Properties
Molecular Weight: 389.282 g/mol	logS: -6.39154	SlogP: 6.66192	Reactive groups: 0

Topological Properties
Globularity: 0.125948	Sterimol/B1: 3.48845	Sterimol/B2: 4.15769	Sterimol/B3: 4.75557
Sterimol/B4: 9.02499	Sterimol/L: 16.4358

Surface and Volume Properties
Accessible surface: 647.239	Positive charged surface: 309.377	Negative charged surface: 337.862	Volume: 355.75
Hydrophobic surface: 607.756	Hydrophilic surface: 39.483

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.