MMsINC Database Search


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MMsINC code: MMs00468356

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C1N(CCc2ccccc2)C(=O)N2C1Cc1c(C2)cccc1

InChI:

InChI=1/C19H18N2O2/c22-18-17-12-15-8-4-5-9-16(15)13-21(17)19(23)20(18)11-10-14-6-2-1-3-7-14/h1-9,17H,10-13H2/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.4185 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -3.70964	SlogP: 2.88454	Reactive groups: 0

Topological Properties
Globularity: 0.0565506	Sterimol/B1: 2.75514	Sterimol/B2: 3.87752	Sterimol/B3: 4.03501
Sterimol/B4: 4.38536	Sterimol/L: 17.618

Surface and Volume Properties
Accessible surface: 551.213	Positive charged surface: 324.208	Negative charged surface: 227.005	Volume: 299
Hydrophobic surface: 473.998	Hydrophilic surface: 77.215

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.