MMsINC Database Search


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MMsINC code: MMs02226391

Type: Neutral
Formula: C₁₅H₁₅N₃O₂

SMILES:

O=C(N)c1ccccc1NC(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C15H15N3O2/c1-10-6-8-11(9-7-10)17-15(20)18-13-5-3-2-4-12(13)14(16)19/h2-9H,1H3,(H2,16,19)(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.6791 kcal/mol

Physical Properties
Molecular Weight: 269.304 g/mol	logS: -3.97809	SlogP: 2.73792	Reactive groups: 0

Topological Properties
Globularity: 0.0369559	Sterimol/B1: 2.66597	Sterimol/B2: 3.45607	Sterimol/B3: 4.38479
Sterimol/B4: 4.8965	Sterimol/L: 15.5943

Surface and Volume Properties
Accessible surface: 509.422	Positive charged surface: 307.351	Negative charged surface: 202.07	Volume: 254.875
Hydrophobic surface: 366.92	Hydrophilic surface: 142.502

Pharmacophoric Properties
Hydrogen bond donors: 3	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.