MMsINC Database Search


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MMsINC code: MMs03216113

Type: Neutral
Formula: C₉H₁₃NO

SMILES:

Oc1ccc(cc1N(C)C)C

InChI:

InChI=1/C9H13NO/c1-7-4-5-9(11)8(6-7)10(2)3/h4-6,11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5887 kcal/mol

Physical Properties
Molecular Weight: 151.209 g/mol	logS: -1.42426	SlogP: 1.76662	Reactive groups: 0

Topological Properties
Globularity: 0.177311	Sterimol/B1: 2.31451	Sterimol/B2: 3.45763	Sterimol/B3: 3.69244
Sterimol/B4: 5.99669	Sterimol/L: 9.97965

Surface and Volume Properties
Accessible surface: 361.081	Positive charged surface: 271.52	Negative charged surface: 89.5611	Volume: 164.375
Hydrophobic surface: 314.579	Hydrophilic surface: 46.502

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.