MMsINC Database Search


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MMsINC code: MMs02310629

Type: Neutral
Formula: C₁₈H₂₃NO

SMILES:

OC(Cc1ccccc1)(CCN(C)C)c1ccccc1

InChI:

InChI=1/C18H23NO/c1-19(2)14-13-18(20,17-11-7-4-8-12-17)15-16-9-5-3-6-10-16/h3-12,20H,13-15H2,1-2H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5812 kcal/mol

Physical Properties
Molecular Weight: 269.388 g/mol	logS: -3.08493	SlogP: 3.38007	Reactive groups: 0

Topological Properties
Globularity: 0.105866	Sterimol/B1: 2.80408	Sterimol/B2: 4.12209	Sterimol/B3: 5.11415
Sterimol/B4: 5.27053	Sterimol/L: 14.6467

Surface and Volume Properties
Accessible surface: 514.85	Positive charged surface: 375.478	Negative charged surface: 139.372	Volume: 293.5
Hydrophobic surface: 488.172	Hydrophilic surface: 26.678

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02310630
NCID-ZINC01675298