MMsINC Database Search


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MMsINC code: MMs02316597

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

Oc1ccccc1C(=O)NNC(C)C

InChI:

InChI=1/C10H14N2O2/c1-7(2)11-12-10(14)8-5-3-4-6-9(8)13/h3-7,11,13H,1-2H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4042 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.52077	SlogP: 1.035	Reactive groups: 0

Topological Properties
Globularity: 0.0539369	Sterimol/B1: 2.43991	Sterimol/B2: 3.75223	Sterimol/B3: 4.13395
Sterimol/B4: 4.70317	Sterimol/L: 13.1684

Surface and Volume Properties
Accessible surface: 419.985	Positive charged surface: 264.425	Negative charged surface: 155.56	Volume: 193.75
Hydrophobic surface: 280.68	Hydrophilic surface: 139.305

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.