MMsINC Database Search


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MMsINC code: MMs03355175

Type: Neutral
Formula: C₁₅H₁₃NO

SMILES:

o1c2cc(ccc2nc1Cc1ccccc1)C

InChI:

InChI=1/C15H13NO/c1-11-7-8-13-14(9-11)17-15(16-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.7946 kcal/mol

Physical Properties
Molecular Weight: 223.275 g/mol	logS: -4.12356	SlogP: 3.72699	Reactive groups: 0

Topological Properties
Globularity: 0.0984903	Sterimol/B1: 3.07333	Sterimol/B2: 3.09636	Sterimol/B3: 4.58569
Sterimol/B4: 5.27946	Sterimol/L: 13.9812

Surface and Volume Properties
Accessible surface: 466.825	Positive charged surface: 277.797	Negative charged surface: 189.028	Volume: 229.25
Hydrophobic surface: 431.192	Hydrophilic surface: 35.633

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.