MMsINC Database Search


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MMsINC code: MMs02214951

Type: Neutral
Formula: C₁₅H₁₄N₂O

SMILES:

Oc1ccccc1-c1[nH]c2cc(C)c(cc2n1)C

InChI:

InChI=1/C15H14N2O/c1-9-7-12-13(8-10(9)2)17-15(16-12)11-5-3-4-6-14(11)18/h3-8,18H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5402 kcal/mol

Physical Properties
Molecular Weight: 238.29 g/mol	logS: -5.07613	SlogP: 3.55234	Reactive groups: 0

Topological Properties
Globularity: 0.00840886	Sterimol/B1: 2.22107	Sterimol/B2: 2.51835	Sterimol/B3: 2.59143
Sterimol/B4: 5.46483	Sterimol/L: 14.8709

Surface and Volume Properties
Accessible surface: 468.383	Positive charged surface: 279.106	Negative charged surface: 189.277	Volume: 238.375
Hydrophobic surface: 398.248	Hydrophilic surface: 70.135

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.