MMsINC Database Search


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MMsINC code: MMs02665609

Type: Neutral
Formula: C₂₀H₁₈N₂O₂

SMILES:

O(c1ccccc1NC(=O)Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C20H18N2O2/c1-15-11-13-16(14-12-15)21-20(23)22-18-9-5-6-10-19(18)24-17-7-3-2-4-8-17/h2-14H,1H3,(H2,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1209 kcal/mol

Physical Properties
Molecular Weight: 318.376 g/mol	logS: -5.50868	SlogP: 5.43132	Reactive groups: 0

Topological Properties
Globularity: 0.0487056	Sterimol/B1: 3.25702	Sterimol/B2: 3.52472	Sterimol/B3: 4.10426
Sterimol/B4: 5.92554	Sterimol/L: 19.0001

Surface and Volume Properties
Accessible surface: 597.064	Positive charged surface: 353.162	Negative charged surface: 243.902	Volume: 316.125
Hydrophobic surface: 541.025	Hydrophilic surface: 56.039

Pharmacophoric Properties
Hydrogen bond donors: 2	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.