MMsINC Database Search


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MMsINC code: MMs01386514

Type: Neutral
Formula: C₂₀H₁₉NO

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CNc1ccccc1

InChI:

InChI=1/C20H19NO/c1-3-7-18(8-4-1)16-22-20-13-11-17(12-14-20)15-21-19-9-5-2-6-10-19/h1-14,21H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9805 kcal/mol

Physical Properties
Molecular Weight: 289.378 g/mol	logS: -4.76752	SlogP: 5.4105	Reactive groups: 0

Topological Properties
Globularity: 0.0296642	Sterimol/B1: 3.61333	Sterimol/B2: 3.63794	Sterimol/B3: 3.78407
Sterimol/B4: 3.91699	Sterimol/L: 20.3517

Surface and Volume Properties
Accessible surface: 591.696	Positive charged surface: 340.283	Negative charged surface: 251.413	Volume: 305.625
Hydrophobic surface: 563.081	Hydrophilic surface: 28.615

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.