MMsINC Database Search


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MMsINC code: MMs00756700

Type: Neutral
Formula: C₁₈H₁₆N₂O₃

SMILES:

O=C1N(CC(=O)N2CCCC2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C18H16N2O3/c21-15(19-9-1-2-10-19)11-20-17(22)13-7-3-5-12-6-4-8-14(16(12)13)18(20)23/h3-8H,1-2,9-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5468 kcal/mol

Physical Properties
Molecular Weight: 308.337 g/mol	logS: -4.43157	SlogP: 2.0582	Reactive groups: 0

Topological Properties
Globularity: 0.0538392	Sterimol/B1: 2.43157	Sterimol/B2: 3.31044	Sterimol/B3: 3.43912
Sterimol/B4: 7.26983	Sterimol/L: 15.4251

Surface and Volume Properties
Accessible surface: 528.924	Positive charged surface: 326.333	Negative charged surface: 191.52	Volume: 287.375
Hydrophobic surface: 437.339	Hydrophilic surface: 91.585

Pharmacophoric Properties
Hydrogen bond donors: 0	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.