MMsINC Database Search


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MMsINC code: MMs02248280

Type: Neutral
Formula: C₂₀H₁₉NO

SMILES:

Oc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1

InChI:

InChI=1/C20H19NO/c22-20-13-11-19(12-14-20)21(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,22H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4951 kcal/mol

Physical Properties
Molecular Weight: 289.378 g/mol	logS: -4.48614	SlogP: 5.1318	Reactive groups: 0

Topological Properties
Globularity: 0.116046	Sterimol/B1: 2.84929	Sterimol/B2: 3.59165	Sterimol/B3: 3.92944
Sterimol/B4: 8.58243	Sterimol/L: 14.3569

Surface and Volume Properties
Accessible surface: 534.633	Positive charged surface: 302.994	Negative charged surface: 231.639	Volume: 302.25
Hydrophobic surface: 469.084	Hydrophilic surface: 65.549

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.