MMsINC Database Search


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MMsINC code: MMs00088742

Type: Neutral
Formula: C₁₁H₁₂N₂O₂

SMILES:

O=C1NC(=O)CN(C1)Cc1ccccc1

InChI:

InChI=1/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.4867 kcal/mol

Physical Properties
Molecular Weight: 204.229 g/mol	logS: -1.96505	SlogP: 0.4114	Reactive groups: 0

Topological Properties
Globularity: 0.137667	Sterimol/B1: 2.72112	Sterimol/B2: 3.96865	Sterimol/B3: 3.99966
Sterimol/B4: 4.1001	Sterimol/L: 12.3781

Surface and Volume Properties
Accessible surface: 399.377	Positive charged surface: 237.654	Negative charged surface: 161.723	Volume: 194.375
Hydrophobic surface: 262.973	Hydrophilic surface: 136.404

Pharmacophoric Properties
Hydrogen bond donors: 1	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.