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MMsINC code: MMs03400367

Type: Neutral
Formula: C₁₉H₂₅NO

SMILES:

O(C(c1ccccc1)c1ccccc1)CCNCCCC

InChI:

InChI=1/C19H25NO/c1-2-3-14-20-15-16-21-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,2-3,14-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.6644 kcal/mol

Physical Properties
Molecular Weight: 283.415 g/mol	logS: -4.08012	SlogP: 4.2778	Reactive groups: 0

Topological Properties
Globularity: 0.0951831	Sterimol/B1: 3.88681	Sterimol/B2: 3.9735	Sterimol/B3: 5.30171
Sterimol/B4: 5.75625	Sterimol/L: 16.7929

Surface and Volume Properties
Accessible surface: 607.189	Positive charged surface: 422.713	Negative charged surface: 184.476	Volume: 316.5
Hydrophobic surface: 568.897	Hydrophilic surface: 38.292

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03400368
PUBCHEM-ZINC05821321