MMsINC Database Search


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MMsINC code: MMs03397582

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O(C)c1cc(ccc1O)-c1[nH]c2cc(ccc2n1)C

InChI:

InChI=1/C15H14N2O2/c1-9-3-5-11-12(7-9)17-15(16-11)10-4-6-13(18)14(8-10)19-2/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)=60.689 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -4.65259	SlogP: 3.25252	Reactive groups: 0

Topological Properties
Globularity: 0.00777534	Sterimol/B1: 2.43618	Sterimol/B2: 2.5142	Sterimol/B3: 4.37006
Sterimol/B4: 5.02714	Sterimol/L: 15.3166

Surface and Volume Properties
Accessible surface: 495.662	Positive charged surface: 322.37	Negative charged surface: 173.292	Volume: 244.375
Hydrophobic surface: 403.406	Hydrophilic surface: 92.256

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.