MMsINC Database Search


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MMsINC code: MMs02818787

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O(C)c1cc2c3c(n(c2cc1)C)c(c1c(cncc1)c3C)C

InChI:

InChI=1/C19H18N2O/c1-11-16-10-20-8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)21(19)3/h5-10H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.839 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -4.71998	SlogP: 4.86434	Reactive groups: 0

Topological Properties
Globularity: 0.0136261	Sterimol/B1: 2.50339	Sterimol/B2: 2.5248	Sterimol/B3: 2.81658
Sterimol/B4: 7.50927	Sterimol/L: 15.9039

Surface and Volume Properties
Accessible surface: 510.918	Positive charged surface: 342.887	Negative charged surface: 144.528	Volume: 293.5
Hydrophobic surface: 484.106	Hydrophilic surface: 26.812

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.