MMsINC Database Search


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MMsINC code: MMs01710343

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(C)c1ccc(cc1)C(NC(=O)c1ccncc1)c1ccccc1

InChI:

InChI=1/C20H18N2O2/c1-24-18-9-7-16(8-10-18)19(15-5-3-2-4-6-15)22-20(23)17-11-13-21-14-12-17/h2-14,19H,1H3,(H,22,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8779 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -3.85905	SlogP: 3.7051	Reactive groups: 0

Topological Properties
Globularity: 0.167641	Sterimol/B1: 2.72051	Sterimol/B2: 3.93852	Sterimol/B3: 4.82384
Sterimol/B4: 9.27164	Sterimol/L: 15.9177

Surface and Volume Properties
Accessible surface: 588.581	Positive charged surface: 375.611	Negative charged surface: 212.97	Volume: 315.625
Hydrophobic surface: 529.869	Hydrophilic surface: 58.712

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.