MMsINC Database Search


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MMsINC code: MMs00363829

Type: Neutral
Formula: C₁₅H₁₄N₂O₂

SMILES:

O=C1N(C)C(=O)c2c3c1ccc(N(C)C)c3ccc2

InChI:

InChI=1/C15H14N2O2/c1-16(2)12-8-7-11-13-9(12)5-4-6-10(13)14(18)17(3)15(11)19/h4-8H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.621 kcal/mol

Physical Properties
Molecular Weight: 254.289 g/mol	logS: -3.74002	SlogP: 2.1316	Reactive groups: 0

Topological Properties
Globularity: 0.0625673	Sterimol/B1: 3.55362	Sterimol/B2: 3.58741	Sterimol/B3: 3.59457
Sterimol/B4: 6.51455	Sterimol/L: 13.1545

Surface and Volume Properties
Accessible surface: 448.739	Positive charged surface: 320.198	Negative charged surface: 118.884	Volume: 245.625
Hydrophobic surface: 381.591	Hydrophilic surface: 67.148

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.