MMsINC Database Search


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MMsINC code: MMs02668148

Type: Neutral
Formula: C₁₈H₂₁N₃O₂

SMILES:

O=C(N(NC(=O)Nc1ccccc1)C(C)(C)C)c1ccccc1

InChI:

InChI=1/C18H21N3O2/c1-18(2,3)21(16(22)14-10-6-4-7-11-14)20-17(23)19-15-12-8-5-9-13-15/h4-13H,1-3H3,(H2,19,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.956 kcal/mol

Physical Properties
Molecular Weight: 311.385 g/mol	logS: -4.35622	SlogP: 3.664	Reactive groups: 0

Topological Properties
Globularity: 0.238097	Sterimol/B1: 2.15602	Sterimol/B2: 3.14312	Sterimol/B3: 5.68023
Sterimol/B4: 8.2867	Sterimol/L: 13.5737

Surface and Volume Properties
Accessible surface: 535.482	Positive charged surface: 306.807	Negative charged surface: 228.675	Volume: 311.375
Hydrophobic surface: 437.032	Hydrophilic surface: 98.45

Pharmacophoric Properties
Hydrogen bond donors: 2	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.