MMsINC Database Search


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MMsINC code: MMs03653648

Type: Neutral
Formula: C₁₄H₁₀Br₂N₂O

SMILES:

Brc1cc(cc(Br)c1N)-c1oc2cc(ccc2n1)C

InChI:

InChI=1/C14H10Br2N2O/c1-7-2-3-11-12(4-7)19-14(18-11)8-5-9(15)13(17)10(16)6-8/h2-6H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.9544 kcal/mol

Physical Properties
Molecular Weight: 382.055 g/mol	logS: -7.07613	SlogP: 4.91042	Reactive groups: 0

Topological Properties
Globularity: 0.0033527	Sterimol/B1: 2.17141	Sterimol/B2: 2.51236	Sterimol/B3: 4.29454
Sterimol/B4: 5.70709	Sterimol/L: 15.6275

Surface and Volume Properties
Accessible surface: 521.131	Positive charged surface: 215.487	Negative charged surface: 305.645	Volume: 274.375
Hydrophobic surface: 444.987	Hydrophilic surface: 76.144

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.