MMsINC Database Search


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MMsINC code: MMs02703002

Type: Neutral
Formula: C₁₅H₁₅NO

SMILES:

O(C)c1cc(N2Cc3c(C2)cccc3)ccc1

InChI:

InChI=1/C15H15NO/c1-17-15-8-4-7-14(9-15)16-10-12-5-2-3-6-13(12)11-16/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.418 kcal/mol

Physical Properties
Molecular Weight: 225.291 g/mol	logS: -3.25297	SlogP: 3.7482	Reactive groups: 0

Topological Properties
Globularity: 0.0232808	Sterimol/B1: 2.46869	Sterimol/B2: 2.96845	Sterimol/B3: 3.23788
Sterimol/B4: 5.64563	Sterimol/L: 14.7122

Surface and Volume Properties
Accessible surface: 447.744	Positive charged surface: 299.052	Negative charged surface: 148.692	Volume: 230.75
Hydrophobic surface: 424.328	Hydrophilic surface: 23.416

Pharmacophoric Properties
Hydrogen bond donors: 0	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.