MMsINC Database Search


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MMsINC code: MMs01725049

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O(C(c1ccccc1)c1ccccc1)C1CCN(CC1)C

InChI:

InChI=1/C19H23NO/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8622 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -3.71925	SlogP: 3.9823	Reactive groups: 0

Topological Properties
Globularity: 0.134861	Sterimol/B1: 3.73554	Sterimol/B2: 3.97025	Sterimol/B3: 4.04072
Sterimol/B4: 6.81168	Sterimol/L: 14.7258

Surface and Volume Properties
Accessible surface: 547.55	Positive charged surface: 390.086	Negative charged surface: 157.464	Volume: 304.625
Hydrophobic surface: 545.155	Hydrophilic surface: 2.395

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs01725050
FDA-ZINC00056643