MMsINC Database Search


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MMsINC code: MMs02301575

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O(C(=O)C(NC(=O)c1cc2c(nc1)cccc2)C)CC

InChI:

InChI=1/C15H16N2O3/c1-3-20-15(19)10(2)17-14(18)12-8-11-6-4-5-7-13(11)16-9-12/h4-10H,3H2,1-2H3,(H,17,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.7971 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -3.18214	SlogP: 1.9162	Reactive groups: 0

Topological Properties
Globularity: 0.0286596	Sterimol/B1: 2.34901	Sterimol/B2: 3.66869	Sterimol/B3: 4.21948
Sterimol/B4: 4.31802	Sterimol/L: 17.9086

Surface and Volume Properties
Accessible surface: 521.913	Positive charged surface: 329.158	Negative charged surface: 188.179	Volume: 263.75
Hydrophobic surface: 389.266	Hydrophilic surface: 132.647

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.