MMsINC Database Search


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MMsINC code: MMs00007915

Type: Neutral
Formula: C₁₀H₁₁NO

SMILES:

O(C)c1c2c(n(cc2)C)ccc1

InChI:

InChI=1/C10H11NO/c1-11-7-6-8-9(11)4-3-5-10(8)12-2/h3-7H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2405 kcal/mol

Physical Properties
Molecular Weight: 161.204 g/mol	logS: -1.61917	SlogP: 2.5461	Reactive groups: 0

Topological Properties
Globularity: 0.0199402	Sterimol/B1: 2.37278	Sterimol/B2: 2.51336	Sterimol/B3: 4.34164
Sterimol/B4: 4.65401	Sterimol/L: 11.5991

Surface and Volume Properties
Accessible surface: 363.456	Positive charged surface: 256.196	Negative charged surface: 101.696	Volume: 168.875
Hydrophobic surface: 336.527	Hydrophilic surface: 26.929

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.