MMsINC Database Search


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MMsINC code: MMs02697761

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(Nc1ccc(cc1)CC)c1cc(ccc1C)C

InChI:

InChI=1/C17H19NO/c1-4-14-7-9-15(10-8-14)18-17(19)16-11-12(2)5-6-13(16)3/h5-11H,4H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5842 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -5.29185	SlogP: 4.11811	Reactive groups: 0

Topological Properties
Globularity: 0.0282243	Sterimol/B1: 2.35888	Sterimol/B2: 3.8389	Sterimol/B3: 4.29821
Sterimol/B4: 5.43223	Sterimol/L: 16.3856

Surface and Volume Properties
Accessible surface: 522.967	Positive charged surface: 321.519	Negative charged surface: 201.448	Volume: 269.625
Hydrophobic surface: 471.53	Hydrophilic surface: 51.437

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.