MMsINC Database Search


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MMsINC code: MMs02302949

Type: Neutral
Formula: C₁₀H₁₅NO

SMILES:

OCCc1ccccc1N(C)C

InChI:

InChI=1/C10H15NO/c1-11(2)10-6-4-3-5-9(10)7-8-12/h3-6,12H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.055 kcal/mol

Physical Properties
Molecular Weight: 165.236 g/mol	logS: -1.14478	SlogP: 1.28737	Reactive groups: 0

Topological Properties
Globularity: 0.23869	Sterimol/B1: 2.44423	Sterimol/B2: 2.70342	Sterimol/B3: 4.44491
Sterimol/B4: 7.21191	Sterimol/L: 9.98601

Surface and Volume Properties
Accessible surface: 378.744	Positive charged surface: 286.431	Negative charged surface: 92.3134	Volume: 180.875
Hydrophobic surface: 324.322	Hydrophilic surface: 54.422

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.